USER MOD reduce.3.24.130724 H: found=0, std=0, add=621, rem=0, adj=21 USER MOD reduce.3.24.130724 removed 618 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 1 MET CE :methyl -141:sc= 0 (180deg=-0.953) USER MOD Single : A 1 MET N :NH3+ -103:sc= 0.622 (180deg=-0.0447) USER MOD Single : A 2 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 6 LYS NZ :NH3+ -159:sc= -0.103 (180deg=-0.498) USER MOD Single : A 7 THR OG1 : rot 55:sc= -0.0248 USER MOD Single : A 9 THR OG1 : rot 180:sc= 0 USER MOD Single : A 11 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 12 THR OG1 : rot 180:sc= 0 USER MOD Single : A 14 THR OG1 : rot 28:sc= 0.594! USER MOD Single : A 17 THR OG1 : rot 50:sc= -0.164 USER MOD Single : A 22 THR OG1 : rot 17:sc= -0.485 USER MOD Single : A 27 LYS NZ :NH3+ -141:sc= -0.67 (180deg=-0.87) USER MOD Single : A 28 GLN : amide:sc= 0 K(o=0,f=-0.8) USER MOD Single : A 29 LYS NZ :NH3+ -152:sc= -0.502 (180deg=-1.93!) USER MOD Single : A 33 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 40 GLN : amide:sc= -1.02 K(o=-1,f=-4.4!) USER MOD Single : A 41 GLN :FLIP amide:sc= -3.1! C(o=-3.9!,f=-3.1!) USER MOD Single : A 48 LYS NZ :NH3+ -156:sc= 1.12 (180deg=0.724) USER MOD Single : A 49 GLN : amide:sc= -0.306 K(o=-0.31,f=-1.1) USER MOD Single : A 53 SER OG : rot -44:sc= 0.569 USER MOD Single : A 54 LYS NZ :NH3+ 157:sc= -0.0749 (180deg=-0.583) USER MOD Single : A 55 THR OG1 : rot -62:sc= 1.1 USER MOD Single : A 56 MET CE :methyl -110:sc= -1.79 (180deg=-5.79!) USER MOD Single : A 59 TYR OH : rot -142:sc= 0.499 USER MOD Single : A 60 ASN : amide:sc= -0.207 K(o=-0.21,f=-0.71) USER MOD Single : A 62 GLN : amide:sc= -0.359 X(o=-0.36,f=-0.042) USER MOD Single : A 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 65 SER OG : rot -65:sc= -1.58 USER MOD Single : A 66 THR OG1 : rot 180:sc= 0 USER MOD Single : A 68 HIS : no HD1:sc= -0.409 X(o=-0.41,f=-0.0048) USER MOD Single : A 69 MET CE :methyl -177:sc= 0 (180deg=-0.00885) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 4.935 0.316 -0.294 1.00 2.23 N ATOM 2 CA MET A 1 4.352 -0.190 -1.531 1.00 33.14 C ATOM 3 C MET A 1 4.422 -1.713 -1.581 1.00 63.04 C ATOM 4 O MET A 1 5.493 -2.299 -1.420 1.00 54.33 O ATOM 5 CB MET A 1 5.073 0.406 -2.741 1.00 54.22 C ATOM 6 CG MET A 1 5.005 1.924 -2.802 1.00 73.52 C ATOM 7 SD MET A 1 6.422 2.714 -2.017 1.00 42.30 S ATOM 8 CE MET A 1 7.510 2.932 -3.423 1.00 63.10 C ATOM 0 H1 MET A 1 4.175 0.590 0.361 1.00 2.23 H new ATOM 0 H2 MET A 1 5.519 -0.425 0.143 1.00 2.23 H new ATOM 0 H3 MET A 1 5.527 1.145 -0.503 1.00 2.23 H new ATOM 0 HA MET A 1 3.304 0.109 -1.559 1.00 33.14 H new ATOM 0 HB2 MET A 1 6.118 0.098 -2.719 1.00 54.22 H new ATOM 0 HB3 MET A 1 4.638 -0.006 -3.652 1.00 54.22 H new ATOM 0 HG2 MET A 1 4.949 2.240 -3.844 1.00 73.52 H new ATOM 0 HG3 MET A 1 4.090 2.263 -2.316 1.00 73.52 H new ATOM 0 HE1 MET A 1 8.538 2.733 -3.121 1.00 63.10 H new ATOM 0 HE2 MET A 1 7.224 2.240 -4.215 1.00 63.10 H new ATOM 0 HE3 MET A 1 7.431 3.956 -3.789 1.00 63.10 H new ATOM 18 N GLN A 2 3.276 -2.347 -1.806 1.00 11.01 N ATOM 19 CA GLN A 2 3.209 -3.802 -1.877 1.00 2.14 C ATOM 20 C GLN A 2 2.808 -4.261 -3.274 1.00 73.13 C ATOM 21 O GLN A 2 2.057 -3.577 -3.971 1.00 62.20 O ATOM 22 CB GLN A 2 2.215 -4.339 -0.845 1.00 42.43 C ATOM 23 CG GLN A 2 1.949 -5.830 -0.975 1.00 51.45 C ATOM 24 CD GLN A 2 1.284 -6.413 0.255 1.00 34.33 C ATOM 25 OE1 GLN A 2 1.931 -6.635 1.279 1.00 61.11 O ATOM 26 NE2 GLN A 2 -0.017 -6.665 0.162 1.00 22.53 N ATOM 0 H GLN A 2 2.381 -1.876 -1.942 1.00 11.01 H new ATOM 0 HA GLN A 2 4.200 -4.197 -1.656 1.00 2.14 H new ATOM 0 HB2 GLN A 2 2.595 -4.132 0.155 1.00 42.43 H new ATOM 0 HB3 GLN A 2 1.273 -3.800 -0.946 1.00 42.43 H new ATOM 0 HG2 GLN A 2 1.316 -6.008 -1.844 1.00 51.45 H new ATOM 0 HG3 GLN A 2 2.891 -6.349 -1.155 1.00 51.45 H new ATOM 0 HE21 GLN A 2 -0.514 -6.466 -0.706 1.00 22.53 H new ATOM 0 HE22 GLN A 2 -0.519 -7.058 0.959 1.00 22.53 H new ATOM 35 N ILE A 3 3.312 -5.422 -3.678 1.00 22.21 N ATOM 36 CA ILE A 3 3.005 -5.972 -4.992 1.00 61.43 C ATOM 37 C ILE A 3 2.913 -7.494 -4.944 1.00 1.25 C ATOM 38 O ILE A 3 3.261 -8.116 -3.939 1.00 55.43 O ATOM 39 CB ILE A 3 4.064 -5.567 -6.034 1.00 43.50 C ATOM 40 CG1 ILE A 3 5.405 -6.233 -5.717 1.00 74.11 C ATOM 41 CG2 ILE A 3 4.216 -4.053 -6.074 1.00 35.24 C ATOM 42 CD1 ILE A 3 6.497 -5.893 -6.706 1.00 5.31 C ATOM 0 H ILE A 3 3.935 -6.000 -3.114 1.00 22.21 H new ATOM 0 HA ILE A 3 2.040 -5.561 -5.287 1.00 61.43 H new ATOM 0 HB ILE A 3 3.734 -5.906 -7.016 1.00 43.50 H new ATOM 0 HG12 ILE A 3 5.724 -5.933 -4.719 1.00 74.11 H new ATOM 0 HG13 ILE A 3 5.269 -7.314 -5.696 1.00 74.11 H new ATOM 0 HG21 ILE A 3 4.968 -3.782 -6.815 1.00 35.24 H new ATOM 0 HG22 ILE A 3 3.262 -3.599 -6.342 1.00 35.24 H new ATOM 0 HG23 ILE A 3 4.527 -3.692 -5.093 1.00 35.24 H new ATOM 0 HD11 ILE A 3 7.418 -6.400 -6.419 1.00 5.31 H new ATOM 0 HD12 ILE A 3 6.199 -6.218 -7.703 1.00 5.31 H new ATOM 0 HD13 ILE A 3 6.662 -4.815 -6.710 1.00 5.31 H new ATOM 54 N PHE A 4 2.444 -8.088 -6.036 1.00 4.02 N ATOM 55 CA PHE A 4 2.307 -9.537 -6.119 1.00 24.44 C ATOM 56 C PHE A 4 3.417 -10.141 -6.975 1.00 1.41 C ATOM 57 O PHE A 4 3.702 -9.657 -8.071 1.00 72.20 O ATOM 58 CB PHE A 4 0.941 -9.910 -6.698 1.00 41.43 C ATOM 59 CG PHE A 4 -0.201 -9.647 -5.758 1.00 65.41 C ATOM 60 CD1 PHE A 4 -0.551 -8.351 -5.417 1.00 61.01 C ATOM 61 CD2 PHE A 4 -0.923 -10.698 -5.215 1.00 0.42 C ATOM 62 CE1 PHE A 4 -1.601 -8.106 -4.552 1.00 71.35 C ATOM 63 CE2 PHE A 4 -1.974 -10.459 -4.350 1.00 54.01 C ATOM 64 CZ PHE A 4 -2.313 -9.162 -4.018 1.00 11.15 C ATOM 0 H PHE A 4 2.152 -7.588 -6.876 1.00 4.02 H new ATOM 0 HA PHE A 4 2.389 -9.942 -5.110 1.00 24.44 H new ATOM 0 HB2 PHE A 4 0.780 -9.349 -7.618 1.00 41.43 H new ATOM 0 HB3 PHE A 4 0.945 -10.967 -6.965 1.00 41.43 H new ATOM 0 HD1 PHE A 4 0.003 -7.522 -5.832 1.00 61.01 H new ATOM 0 HD2 PHE A 4 -0.662 -11.714 -5.470 1.00 0.42 H new ATOM 0 HE1 PHE A 4 -1.864 -7.091 -4.294 1.00 71.35 H new ATOM 0 HE2 PHE A 4 -2.530 -11.286 -3.934 1.00 54.01 H new ATOM 0 HZ PHE A 4 -3.134 -8.974 -3.342 1.00 11.15 H new ATOM 74 N ILE A 5 4.040 -11.198 -6.466 1.00 72.32 N ATOM 75 CA ILE A 5 5.118 -11.868 -7.184 1.00 15.22 C ATOM 76 C ILE A 5 4.817 -13.352 -7.367 1.00 4.32 C ATOM 77 O ILE A 5 4.310 -14.011 -6.459 1.00 54.42 O ATOM 78 CB ILE A 5 6.463 -11.714 -6.450 1.00 31.51 C ATOM 79 CG1 ILE A 5 6.832 -10.235 -6.320 1.00 32.34 C ATOM 80 CG2 ILE A 5 7.556 -12.476 -7.184 1.00 24.11 C ATOM 81 CD1 ILE A 5 6.361 -9.607 -5.027 1.00 3.24 C ATOM 0 H ILE A 5 3.817 -11.609 -5.560 1.00 72.32 H new ATOM 0 HA ILE A 5 5.191 -11.392 -8.162 1.00 15.22 H new ATOM 0 HB ILE A 5 6.364 -12.133 -5.449 1.00 31.51 H new ATOM 0 HG12 ILE A 5 7.915 -10.131 -6.392 1.00 32.34 H new ATOM 0 HG13 ILE A 5 6.403 -9.687 -7.159 1.00 32.34 H new ATOM 0 HG21 ILE A 5 8.501 -12.358 -6.654 1.00 24.11 H new ATOM 0 HG22 ILE A 5 7.295 -13.533 -7.229 1.00 24.11 H new ATOM 0 HG23 ILE A 5 7.656 -12.084 -8.196 1.00 24.11 H new ATOM 0 HD11 ILE A 5 6.657 -8.558 -5.003 1.00 3.24 H new ATOM 0 HD12 ILE A 5 5.275 -9.679 -4.962 1.00 3.24 H new ATOM 0 HD13 ILE A 5 6.811 -10.131 -4.183 1.00 3.24 H new ATOM 93 N LYS A 6 5.136 -13.873 -8.547 1.00 2.13 N ATOM 94 CA LYS A 6 4.904 -15.280 -8.850 1.00 24.22 C ATOM 95 C LYS A 6 6.205 -15.974 -9.240 1.00 24.34 C ATOM 96 O LYS A 6 6.749 -15.737 -10.319 1.00 20.30 O ATOM 97 CB LYS A 6 3.882 -15.418 -9.980 1.00 51.11 C ATOM 98 CG LYS A 6 3.277 -16.807 -10.087 1.00 63.25 C ATOM 99 CD LYS A 6 4.053 -17.679 -11.060 1.00 24.41 C ATOM 100 CE LYS A 6 3.823 -17.249 -12.500 1.00 63.15 C ATOM 101 NZ LYS A 6 2.389 -17.353 -12.888 1.00 42.20 N ATOM 0 H LYS A 6 5.556 -13.341 -9.309 1.00 2.13 H new ATOM 0 HA LYS A 6 4.512 -15.759 -7.953 1.00 24.22 H new ATOM 0 HB2 LYS A 6 3.082 -14.694 -9.826 1.00 51.11 H new ATOM 0 HB3 LYS A 6 4.362 -15.166 -10.926 1.00 51.11 H new ATOM 0 HG2 LYS A 6 3.267 -17.277 -9.104 1.00 63.25 H new ATOM 0 HG3 LYS A 6 2.240 -16.729 -10.414 1.00 63.25 H new ATOM 0 HD2 LYS A 6 5.117 -17.626 -10.829 1.00 24.41 H new ATOM 0 HD3 LYS A 6 3.752 -18.719 -10.937 1.00 24.41 H new ATOM 0 HE2 LYS A 6 4.161 -16.221 -12.630 1.00 63.15 H new ATOM 0 HE3 LYS A 6 4.425 -17.869 -13.165 1.00 63.15 H new ATOM 0 HZ1 LYS A 6 2.312 -17.403 -13.924 1.00 42.20 H new ATOM 0 HZ2 LYS A 6 1.977 -18.211 -12.468 1.00 42.20 H new ATOM 0 HZ3 LYS A 6 1.875 -16.518 -12.543 1.00 42.20 H new ATOM 115 N THR A 7 6.700 -16.834 -8.355 1.00 24.42 N ATOM 116 CA THR A 7 7.937 -17.563 -8.607 1.00 21.24 C ATOM 117 C THR A 7 7.691 -18.771 -9.503 1.00 34.53 C ATOM 118 O THR A 7 6.545 -19.125 -9.785 1.00 13.42 O ATOM 119 CB THR A 7 8.587 -18.037 -7.293 1.00 45.30 C ATOM 120 OG1 THR A 7 9.874 -18.606 -7.561 1.00 33.33 O ATOM 121 CG2 THR A 7 7.709 -19.062 -6.593 1.00 72.51 C ATOM 0 H THR A 7 6.263 -17.043 -7.457 1.00 24.42 H new ATOM 0 HA THR A 7 8.614 -16.873 -9.111 1.00 21.24 H new ATOM 0 HB THR A 7 8.701 -17.173 -6.638 1.00 45.30 H new ATOM 0 HG1 THR A 7 10.421 -17.960 -8.054 1.00 33.33 H new ATOM 0 HG21 THR A 7 8.189 -19.381 -5.668 1.00 72.51 H new ATOM 0 HG22 THR A 7 6.741 -18.616 -6.364 1.00 72.51 H new ATOM 0 HG23 THR A 7 7.566 -19.924 -7.244 1.00 72.51 H new ATOM 129 N LEU A 8 8.772 -19.403 -9.947 1.00 54.33 N ATOM 130 CA LEU A 8 8.673 -20.574 -10.812 1.00 15.52 C ATOM 131 C LEU A 8 7.870 -21.682 -10.138 1.00 12.31 C ATOM 132 O LEU A 8 7.317 -22.557 -10.805 1.00 23.31 O ATOM 133 CB LEU A 8 10.068 -21.086 -11.172 1.00 3.23 C ATOM 134 CG LEU A 8 10.120 -22.395 -11.960 1.00 2.00 C ATOM 135 CD1 LEU A 8 9.242 -22.307 -13.199 1.00 21.44 C ATOM 136 CD2 LEU A 8 11.554 -22.730 -12.343 1.00 62.32 C ATOM 0 H LEU A 8 9.727 -19.124 -9.722 1.00 54.33 H new ATOM 0 HA LEU A 8 8.155 -20.279 -11.724 1.00 15.52 H new ATOM 0 HB2 LEU A 8 10.577 -20.316 -11.751 1.00 3.23 H new ATOM 0 HB3 LEU A 8 10.634 -21.218 -10.250 1.00 3.23 H new ATOM 0 HG LEU A 8 9.738 -23.195 -11.325 1.00 2.00 H new ATOM 0 HD11 LEU A 8 9.291 -23.248 -13.748 1.00 21.44 H new ATOM 0 HD12 LEU A 8 8.211 -22.114 -12.902 1.00 21.44 H new ATOM 0 HD13 LEU A 8 9.593 -21.496 -13.837 1.00 21.44 H new ATOM 0 HD21 LEU A 8 11.572 -23.665 -12.903 1.00 62.32 H new ATOM 0 HD22 LEU A 8 11.962 -21.929 -12.960 1.00 62.32 H new ATOM 0 HD23 LEU A 8 12.156 -22.836 -11.441 1.00 62.32 H new ATOM 148 N THR A 9 7.807 -21.637 -8.811 1.00 2.13 N ATOM 149 CA THR A 9 7.071 -22.636 -8.046 1.00 43.21 C ATOM 150 C THR A 9 5.569 -22.392 -8.125 1.00 53.43 C ATOM 151 O THR A 9 4.771 -23.223 -7.693 1.00 42.15 O ATOM 152 CB THR A 9 7.502 -22.641 -6.567 1.00 51.32 C ATOM 153 OG1 THR A 9 8.928 -22.555 -6.472 1.00 21.21 O ATOM 154 CG2 THR A 9 7.016 -23.901 -5.866 1.00 44.43 C ATOM 0 H THR A 9 8.257 -20.919 -8.243 1.00 2.13 H new ATOM 0 HA THR A 9 7.302 -23.605 -8.487 1.00 43.21 H new ATOM 0 HB THR A 9 7.053 -21.777 -6.078 1.00 51.32 H new ATOM 0 HG1 THR A 9 9.194 -22.557 -5.529 1.00 21.21 H new ATOM 0 HG21 THR A 9 7.332 -23.882 -4.823 1.00 44.43 H new ATOM 0 HG22 THR A 9 5.928 -23.948 -5.915 1.00 44.43 H new ATOM 0 HG23 THR A 9 7.439 -24.777 -6.358 1.00 44.43 H new ATOM 162 N GLY A 10 5.188 -21.245 -8.681 1.00 4.01 N ATOM 163 CA GLY A 10 3.781 -20.912 -8.807 1.00 64.50 C ATOM 164 C GLY A 10 3.182 -20.426 -7.503 1.00 14.22 C ATOM 165 O GLY A 10 1.977 -20.548 -7.281 1.00 32.24 O ATOM 0 H GLY A 10 5.829 -20.541 -9.046 1.00 4.01 H new ATOM 0 HA2 GLY A 10 3.660 -20.142 -9.568 1.00 64.50 H new ATOM 0 HA3 GLY A 10 3.233 -21.789 -9.151 1.00 64.50 H new ATOM 169 N LYS A 11 4.023 -19.873 -6.636 1.00 25.41 N ATOM 170 CA LYS A 11 3.571 -19.367 -5.346 1.00 11.52 C ATOM 171 C LYS A 11 3.476 -17.844 -5.362 1.00 73.34 C ATOM 172 O LYS A 11 4.302 -17.166 -5.974 1.00 72.34 O ATOM 173 CB LYS A 11 4.523 -19.817 -4.235 1.00 50.44 C ATOM 174 CG LYS A 11 3.896 -19.797 -2.852 1.00 4.10 C ATOM 175 CD LYS A 11 4.865 -20.297 -1.794 1.00 24.22 C ATOM 176 CE LYS A 11 5.992 -19.303 -1.555 1.00 72.41 C ATOM 177 NZ LYS A 11 6.619 -19.487 -0.217 1.00 11.31 N ATOM 0 H LYS A 11 5.023 -19.764 -6.804 1.00 25.41 H new ATOM 0 HA LYS A 11 2.579 -19.774 -5.152 1.00 11.52 H new ATOM 0 HB2 LYS A 11 4.870 -20.827 -4.453 1.00 50.44 H new ATOM 0 HB3 LYS A 11 5.401 -19.171 -4.236 1.00 50.44 H new ATOM 0 HG2 LYS A 11 3.582 -18.782 -2.609 1.00 4.10 H new ATOM 0 HG3 LYS A 11 3.000 -20.418 -2.849 1.00 4.10 H new ATOM 0 HD2 LYS A 11 4.329 -20.471 -0.861 1.00 24.22 H new ATOM 0 HD3 LYS A 11 5.283 -21.254 -2.105 1.00 24.22 H new ATOM 0 HE2 LYS A 11 6.749 -19.419 -2.330 1.00 72.41 H new ATOM 0 HE3 LYS A 11 5.604 -18.288 -1.638 1.00 72.41 H new ATOM 0 HZ1 LYS A 11 7.382 -18.791 -0.093 1.00 11.31 H new ATOM 0 HZ2 LYS A 11 5.902 -19.351 0.524 1.00 11.31 H new ATOM 0 HZ3 LYS A 11 7.012 -20.448 -0.147 1.00 11.31 H new ATOM 191 N THR A 12 2.463 -17.312 -4.685 1.00 4.41 N ATOM 192 CA THR A 12 2.261 -15.870 -4.622 1.00 14.25 C ATOM 193 C THR A 12 3.020 -15.259 -3.449 1.00 52.23 C ATOM 194 O THR A 12 2.833 -15.660 -2.300 1.00 53.41 O ATOM 195 CB THR A 12 0.767 -15.518 -4.490 1.00 52.34 C ATOM 196 OG1 THR A 12 0.043 -16.028 -5.615 1.00 74.23 O ATOM 197 CG2 THR A 12 0.572 -14.012 -4.396 1.00 51.04 C ATOM 0 H THR A 12 1.770 -17.858 -4.173 1.00 4.41 H new ATOM 0 HA THR A 12 2.644 -15.456 -5.555 1.00 14.25 H new ATOM 0 HB THR A 12 0.388 -15.975 -3.576 1.00 52.34 H new ATOM 0 HG1 THR A 12 -0.906 -15.802 -5.523 1.00 74.23 H new ATOM 0 HG21 THR A 12 -0.491 -13.788 -4.304 1.00 51.04 H new ATOM 0 HG22 THR A 12 1.101 -13.630 -3.523 1.00 51.04 H new ATOM 0 HG23 THR A 12 0.966 -13.537 -5.295 1.00 51.04 H new ATOM 205 N ILE A 13 3.876 -14.287 -3.747 1.00 32.11 N ATOM 206 CA ILE A 13 4.662 -13.620 -2.716 1.00 54.14 C ATOM 207 C ILE A 13 4.396 -12.118 -2.708 1.00 74.41 C ATOM 208 O ILE A 13 4.498 -11.452 -3.739 1.00 33.22 O ATOM 209 CB ILE A 13 6.170 -13.862 -2.914 1.00 12.44 C ATOM 210 CG1 ILE A 13 6.467 -15.362 -2.956 1.00 12.04 C ATOM 211 CG2 ILE A 13 6.964 -13.190 -1.803 1.00 54.21 C ATOM 212 CD1 ILE A 13 7.930 -15.683 -3.169 1.00 14.42 C ATOM 0 H ILE A 13 4.043 -13.944 -4.693 1.00 32.11 H new ATOM 0 HA ILE A 13 4.356 -14.046 -1.760 1.00 54.14 H new ATOM 0 HB ILE A 13 6.472 -13.425 -3.866 1.00 12.44 H new ATOM 0 HG12 ILE A 13 6.136 -15.816 -2.022 1.00 12.04 H new ATOM 0 HG13 ILE A 13 5.883 -15.817 -3.756 1.00 12.04 H new ATOM 0 HG21 ILE A 13 8.028 -13.370 -1.956 1.00 54.21 H new ATOM 0 HG22 ILE A 13 6.772 -12.117 -1.816 1.00 54.21 H new ATOM 0 HG23 ILE A 13 6.662 -13.601 -0.840 1.00 54.21 H new ATOM 0 HD11 ILE A 13 8.066 -16.764 -3.188 1.00 14.42 H new ATOM 0 HD12 ILE A 13 8.261 -15.259 -4.117 1.00 14.42 H new ATOM 0 HD13 ILE A 13 8.518 -15.257 -2.356 1.00 14.42 H new ATOM 224 N THR A 14 4.055 -11.590 -1.537 1.00 1.42 N ATOM 225 CA THR A 14 3.775 -10.167 -1.393 1.00 40.41 C ATOM 226 C THR A 14 4.466 -9.592 -0.162 1.00 1.21 C ATOM 227 O THR A 14 4.252 -10.058 0.956 1.00 34.34 O ATOM 228 CB THR A 14 2.262 -9.900 -1.290 1.00 15.52 C ATOM 229 OG1 THR A 14 1.768 -10.358 -0.026 1.00 62.43 O ATOM 230 CG2 THR A 14 1.511 -10.595 -2.416 1.00 3.13 C ATOM 0 H THR A 14 3.966 -12.127 -0.674 1.00 1.42 H new ATOM 0 HA THR A 14 4.163 -9.677 -2.286 1.00 40.41 H new ATOM 0 HB THR A 14 2.099 -8.826 -1.375 1.00 15.52 H new ATOM 0 HG1 THR A 14 2.488 -10.325 0.638 1.00 62.43 H new ATOM 0 HG21 THR A 14 0.444 -10.392 -2.322 1.00 3.13 H new ATOM 0 HG22 THR A 14 1.868 -10.222 -3.376 1.00 3.13 H new ATOM 0 HG23 THR A 14 1.682 -11.670 -2.358 1.00 3.13 H new ATOM 238 N ALA A 15 5.296 -8.576 -0.375 1.00 51.22 N ATOM 239 CA ALA A 15 6.016 -7.935 0.718 1.00 24.53 C ATOM 240 C ALA A 15 6.351 -6.486 0.381 1.00 33.42 C ATOM 241 O ALA A 15 6.865 -6.194 -0.698 1.00 1.13 O ATOM 242 CB ALA A 15 7.285 -8.711 1.040 1.00 43.12 C ATOM 0 H ALA A 15 5.486 -8.179 -1.295 1.00 51.22 H new ATOM 0 HA ALA A 15 5.369 -7.936 1.596 1.00 24.53 H new ATOM 0 HB1 ALA A 15 7.813 -8.221 1.858 1.00 43.12 H new ATOM 0 HB2 ALA A 15 7.025 -9.728 1.333 1.00 43.12 H new ATOM 0 HB3 ALA A 15 7.927 -8.740 0.160 1.00 43.12 H new ATOM 248 N GLU A 16 6.054 -5.584 1.311 1.00 4.31 N ATOM 249 CA GLU A 16 6.323 -4.165 1.110 1.00 11.42 C ATOM 250 C GLU A 16 7.788 -3.843 1.392 1.00 53.23 C ATOM 251 O GLU A 16 8.392 -4.397 2.310 1.00 23.33 O ATOM 252 CB GLU A 16 5.421 -3.319 2.012 1.00 22.54 C ATOM 253 CG GLU A 16 5.725 -3.475 3.493 1.00 15.32 C ATOM 254 CD GLU A 16 4.544 -3.110 4.372 1.00 73.21 C ATOM 255 OE1 GLU A 16 4.754 -2.418 5.390 1.00 50.32 O ATOM 256 OE2 GLU A 16 3.410 -3.517 4.042 1.00 22.14 O ATOM 0 H GLU A 16 5.628 -5.810 2.210 1.00 4.31 H new ATOM 0 HA GLU A 16 6.110 -3.926 0.068 1.00 11.42 H new ATOM 0 HB2 GLU A 16 5.527 -2.270 1.736 1.00 22.54 H new ATOM 0 HB3 GLU A 16 4.381 -3.593 1.832 1.00 22.54 H new ATOM 0 HG2 GLU A 16 6.018 -4.506 3.694 1.00 15.32 H new ATOM 0 HG3 GLU A 16 6.576 -2.845 3.754 1.00 15.32 H new ATOM 263 N THR A 17 8.354 -2.943 0.594 1.00 52.43 N ATOM 264 CA THR A 17 9.747 -2.548 0.755 1.00 44.43 C ATOM 265 C THR A 17 9.904 -1.034 0.662 1.00 20.12 C ATOM 266 O THR A 17 8.967 -0.326 0.295 1.00 0.24 O ATOM 267 CB THR A 17 10.646 -3.211 -0.306 1.00 55.05 C ATOM 268 OG1 THR A 17 12.021 -2.918 -0.036 1.00 70.34 O ATOM 269 CG2 THR A 17 10.283 -2.726 -1.702 1.00 1.00 C ATOM 0 H THR A 17 7.868 -2.474 -0.171 1.00 52.43 H new ATOM 0 HA THR A 17 10.057 -2.883 1.745 1.00 44.43 H new ATOM 0 HB THR A 17 10.490 -4.289 -0.261 1.00 55.05 H new ATOM 0 HG1 THR A 17 12.219 -3.114 0.903 1.00 70.34 H new ATOM 0 HG21 THR A 17 10.931 -3.208 -2.434 1.00 1.00 H new ATOM 0 HG22 THR A 17 9.244 -2.977 -1.916 1.00 1.00 H new ATOM 0 HG23 THR A 17 10.414 -1.645 -1.757 1.00 1.00 H new ATOM 277 N GLU A 18 11.094 -0.545 0.997 1.00 62.35 N ATOM 278 CA GLU A 18 11.372 0.885 0.951 1.00 50.43 C ATOM 279 C GLU A 18 11.778 1.316 -0.456 1.00 1.02 C ATOM 280 O GLU A 18 12.352 0.546 -1.226 1.00 43.44 O ATOM 281 CB GLU A 18 12.478 1.245 1.945 1.00 32.13 C ATOM 282 CG GLU A 18 12.003 2.120 3.093 1.00 42.30 C ATOM 283 CD GLU A 18 12.776 1.873 4.374 1.00 63.22 C ATOM 284 OE1 GLU A 18 14.024 1.908 4.329 1.00 30.20 O ATOM 285 OE2 GLU A 18 12.134 1.644 5.420 1.00 25.11 O ATOM 0 H GLU A 18 11.880 -1.118 1.303 1.00 62.35 H new ATOM 0 HA GLU A 18 10.460 1.415 1.226 1.00 50.43 H new ATOM 0 HB2 GLU A 18 12.903 0.327 2.351 1.00 32.13 H new ATOM 0 HB3 GLU A 18 13.279 1.760 1.414 1.00 32.13 H new ATOM 0 HG2 GLU A 18 12.101 3.168 2.810 1.00 42.30 H new ATOM 0 HG3 GLU A 18 10.944 1.936 3.271 1.00 42.30 H new ATOM 292 N PRO A 19 11.473 2.576 -0.800 1.00 11.13 N ATOM 293 CA PRO A 19 11.796 3.138 -2.114 1.00 44.42 C ATOM 294 C PRO A 19 13.295 3.346 -2.303 1.00 2.10 C ATOM 295 O PRO A 19 13.753 3.669 -3.398 1.00 45.04 O ATOM 296 CB PRO A 19 11.066 4.484 -2.114 1.00 70.41 C ATOM 297 CG PRO A 19 10.942 4.847 -0.675 1.00 10.22 C ATOM 298 CD PRO A 19 10.789 3.549 0.069 1.00 51.04 C ATOM 0 HA PRO A 19 11.496 2.475 -2.925 1.00 44.42 H new ATOM 0 HB2 PRO A 19 11.627 5.239 -2.666 1.00 70.41 H new ATOM 0 HB3 PRO A 19 10.088 4.404 -2.588 1.00 70.41 H new ATOM 0 HG2 PRO A 19 11.822 5.391 -0.333 1.00 10.22 H new ATOM 0 HG3 PRO A 19 10.082 5.495 -0.509 1.00 10.22 H new ATOM 0 HD2 PRO A 19 11.246 3.596 1.057 1.00 51.04 H new ATOM 0 HD3 PRO A 19 9.740 3.290 0.215 1.00 51.04 H new ATOM 306 N ALA A 20 14.054 3.158 -1.228 1.00 51.21 N ATOM 307 CA ALA A 20 15.501 3.323 -1.277 1.00 24.44 C ATOM 308 C ALA A 20 16.202 1.976 -1.424 1.00 3.34 C ATOM 309 O ALA A 20 17.310 1.898 -1.954 1.00 53.01 O ATOM 310 CB ALA A 20 15.993 4.042 -0.029 1.00 51.24 C ATOM 0 H ALA A 20 13.690 2.891 -0.313 1.00 51.21 H new ATOM 0 HA ALA A 20 15.744 3.928 -2.151 1.00 24.44 H new ATOM 0 HB1 ALA A 20 17.076 4.158 -0.079 1.00 51.24 H new ATOM 0 HB2 ALA A 20 15.525 5.024 0.033 1.00 51.24 H new ATOM 0 HB3 ALA A 20 15.731 3.459 0.854 1.00 51.24 H new ATOM 316 N GLU A 21 15.550 0.920 -0.950 1.00 35.43 N ATOM 317 CA GLU A 21 16.112 -0.423 -1.028 1.00 24.32 C ATOM 318 C GLU A 21 15.043 -1.440 -1.416 1.00 14.04 C ATOM 319 O GLU A 21 14.693 -2.322 -0.630 1.00 52.40 O ATOM 320 CB GLU A 21 16.742 -0.815 0.311 1.00 44.15 C ATOM 321 CG GLU A 21 18.124 -0.222 0.529 1.00 24.42 C ATOM 322 CD GLU A 21 18.886 -0.913 1.644 1.00 73.42 C ATOM 323 OE1 GLU A 21 19.164 -0.255 2.668 1.00 31.11 O ATOM 324 OE2 GLU A 21 19.203 -2.111 1.492 1.00 23.41 O ATOM 0 H GLU A 21 14.632 0.968 -0.508 1.00 35.43 H new ATOM 0 HA GLU A 21 16.883 -0.421 -1.798 1.00 24.32 H new ATOM 0 HB2 GLU A 21 16.086 -0.493 1.120 1.00 44.15 H new ATOM 0 HB3 GLU A 21 16.809 -1.901 0.368 1.00 44.15 H new ATOM 0 HG2 GLU A 21 18.696 -0.294 -0.396 1.00 24.42 H new ATOM 0 HG3 GLU A 21 18.028 0.838 0.763 1.00 24.42 H new ATOM 331 N THR A 22 14.525 -1.311 -2.633 1.00 42.45 N ATOM 332 CA THR A 22 13.494 -2.215 -3.126 1.00 64.41 C ATOM 333 C THR A 22 14.086 -3.568 -3.505 1.00 73.32 C ATOM 334 O THR A 22 13.612 -4.612 -3.056 1.00 72.13 O ATOM 335 CB THR A 22 12.766 -1.625 -4.349 1.00 24.44 C ATOM 336 OG1 THR A 22 11.878 -0.582 -3.933 1.00 44.43 O ATOM 337 CG2 THR A 22 11.983 -2.702 -5.084 1.00 32.44 C ATOM 0 H THR A 22 14.803 -0.588 -3.296 1.00 42.45 H new ATOM 0 HA THR A 22 12.777 -2.348 -2.316 1.00 64.41 H new ATOM 0 HB THR A 22 13.514 -1.216 -5.028 1.00 24.44 H new ATOM 0 HG1 THR A 22 12.121 -0.286 -3.031 1.00 44.43 H new ATOM 0 HG21 THR A 22 11.478 -2.262 -5.944 1.00 32.44 H new ATOM 0 HG22 THR A 22 12.666 -3.480 -5.424 1.00 32.44 H new ATOM 0 HG23 THR A 22 11.243 -3.137 -4.412 1.00 32.44 H new ATOM 345 N VAL A 23 15.125 -3.544 -4.334 1.00 13.40 N ATOM 346 CA VAL A 23 15.782 -4.769 -4.772 1.00 45.22 C ATOM 347 C VAL A 23 16.661 -5.346 -3.668 1.00 32.11 C ATOM 348 O VAL A 23 16.615 -6.543 -3.386 1.00 72.23 O ATOM 349 CB VAL A 23 16.645 -4.526 -6.025 1.00 1.42 C ATOM 350 CG1 VAL A 23 17.323 -5.814 -6.465 1.00 24.14 C ATOM 351 CG2 VAL A 23 15.800 -3.948 -7.150 1.00 15.35 C ATOM 0 H VAL A 23 15.530 -2.689 -4.716 1.00 13.40 H new ATOM 0 HA VAL A 23 14.994 -5.481 -5.015 1.00 45.22 H new ATOM 0 HB VAL A 23 17.421 -3.802 -5.775 1.00 1.42 H new ATOM 0 HG11 VAL A 23 17.928 -5.622 -7.351 1.00 24.14 H new ATOM 0 HG12 VAL A 23 17.962 -6.182 -5.662 1.00 24.14 H new ATOM 0 HG13 VAL A 23 16.566 -6.563 -6.698 1.00 24.14 H new ATOM 0 HG21 VAL A 23 16.426 -3.783 -8.027 1.00 15.35 H new ATOM 0 HG22 VAL A 23 15.001 -4.646 -7.401 1.00 15.35 H new ATOM 0 HG23 VAL A 23 15.367 -3.000 -6.830 1.00 15.35 H new ATOM 361 N ALA A 24 17.460 -4.486 -3.045 1.00 23.50 N ATOM 362 CA ALA A 24 18.348 -4.910 -1.969 1.00 72.42 C ATOM 363 C ALA A 24 17.575 -5.641 -0.876 1.00 3.42 C ATOM 364 O ALA A 24 18.043 -6.643 -0.336 1.00 23.03 O ATOM 365 CB ALA A 24 19.083 -3.712 -1.388 1.00 52.41 C ATOM 0 H ALA A 24 17.511 -3.492 -3.267 1.00 23.50 H new ATOM 0 HA ALA A 24 19.079 -5.603 -2.386 1.00 72.42 H new ATOM 0 HB1 ALA A 24 19.742 -4.044 -0.586 1.00 52.41 H new ATOM 0 HB2 ALA A 24 19.674 -3.234 -2.169 1.00 52.41 H new ATOM 0 HB3 ALA A 24 18.360 -2.999 -0.992 1.00 52.41 H new ATOM 371 N ASP A 25 16.391 -5.132 -0.554 1.00 42.40 N ATOM 372 CA ASP A 25 15.553 -5.736 0.475 1.00 4.03 C ATOM 373 C ASP A 25 15.086 -7.124 0.050 1.00 71.34 C ATOM 374 O ASP A 25 14.898 -8.011 0.884 1.00 43.12 O ATOM 375 CB ASP A 25 14.345 -4.845 0.768 1.00 43.22 C ATOM 376 CG ASP A 25 13.465 -5.405 1.868 1.00 63.32 C ATOM 377 OD1 ASP A 25 12.294 -4.983 1.964 1.00 11.43 O ATOM 378 OD2 ASP A 25 13.948 -6.267 2.632 1.00 74.24 O ATOM 0 H ASP A 25 15.990 -4.302 -0.991 1.00 42.40 H new ATOM 0 HA ASP A 25 16.149 -5.835 1.382 1.00 4.03 H new ATOM 0 HB2 ASP A 25 14.691 -3.852 1.054 1.00 43.22 H new ATOM 0 HB3 ASP A 25 13.755 -4.728 -0.141 1.00 43.22 H new ATOM 383 N LEU A 26 14.899 -7.306 -1.253 1.00 35.11 N ATOM 384 CA LEU A 26 14.452 -8.587 -1.790 1.00 53.42 C ATOM 385 C LEU A 26 15.602 -9.587 -1.841 1.00 31.10 C ATOM 386 O LEU A 26 15.488 -10.707 -1.341 1.00 42.42 O ATOM 387 CB LEU A 26 13.863 -8.397 -3.189 1.00 61.54 C ATOM 388 CG LEU A 26 12.714 -9.334 -3.566 1.00 43.44 C ATOM 389 CD1 LEU A 26 13.162 -10.785 -3.493 1.00 44.02 C ATOM 390 CD2 LEU A 26 11.515 -9.098 -2.660 1.00 53.54 C ATOM 0 H LEU A 26 15.050 -6.583 -1.957 1.00 35.11 H new ATOM 0 HA LEU A 26 13.681 -8.982 -1.128 1.00 53.42 H new ATOM 0 HB2 LEU A 26 13.511 -7.369 -3.277 1.00 61.54 H new ATOM 0 HB3 LEU A 26 14.663 -8.523 -3.919 1.00 61.54 H new ATOM 0 HG LEU A 26 12.417 -9.119 -4.592 1.00 43.44 H new ATOM 0 HD11 LEU A 26 12.331 -11.436 -3.764 1.00 44.02 H new ATOM 0 HD12 LEU A 26 13.990 -10.945 -4.184 1.00 44.02 H new ATOM 0 HD13 LEU A 26 13.487 -11.015 -2.478 1.00 44.02 H new ATOM 0 HD21 LEU A 26 10.707 -9.773 -2.942 1.00 53.54 H new ATOM 0 HD22 LEU A 26 11.799 -9.285 -1.624 1.00 53.54 H new ATOM 0 HD23 LEU A 26 11.179 -8.066 -2.763 1.00 53.54 H new ATOM 402 N LYS A 27 16.711 -9.176 -2.446 1.00 52.52 N ATOM 403 CA LYS A 27 17.884 -10.033 -2.560 1.00 25.22 C ATOM 404 C LYS A 27 18.423 -10.404 -1.182 1.00 33.34 C ATOM 405 O LYS A 27 18.931 -11.507 -0.981 1.00 0.22 O ATOM 406 CB LYS A 27 18.976 -9.334 -3.374 1.00 34.21 C ATOM 407 CG LYS A 27 18.474 -8.737 -4.677 1.00 53.20 C ATOM 408 CD LYS A 27 19.498 -8.886 -5.790 1.00 13.23 C ATOM 409 CE LYS A 27 19.350 -10.218 -6.508 1.00 61.22 C ATOM 410 NZ LYS A 27 18.159 -10.237 -7.402 1.00 62.51 N ATOM 0 H LYS A 27 16.822 -8.253 -2.866 1.00 52.52 H new ATOM 0 HA LYS A 27 17.586 -10.947 -3.073 1.00 25.22 H new ATOM 0 HB2 LYS A 27 19.419 -8.543 -2.769 1.00 34.21 H new ATOM 0 HB3 LYS A 27 19.768 -10.050 -3.593 1.00 34.21 H new ATOM 0 HG2 LYS A 27 17.545 -9.227 -4.968 1.00 53.20 H new ATOM 0 HG3 LYS A 27 18.246 -7.681 -4.530 1.00 53.20 H new ATOM 0 HD2 LYS A 27 19.381 -8.071 -6.505 1.00 13.23 H new ATOM 0 HD3 LYS A 27 20.503 -8.805 -5.375 1.00 13.23 H new ATOM 0 HE2 LYS A 27 20.247 -10.416 -7.094 1.00 61.22 H new ATOM 0 HE3 LYS A 27 19.266 -11.019 -5.774 1.00 61.22 H new ATOM 0 HZ1 LYS A 27 17.700 -11.169 -7.350 1.00 62.51 H new ATOM 0 HZ2 LYS A 27 17.487 -9.503 -7.101 1.00 62.51 H new ATOM 0 HZ3 LYS A 27 18.457 -10.052 -8.381 1.00 62.51 H new ATOM 424 N GLN A 28 18.306 -9.477 -0.236 1.00 72.24 N ATOM 425 CA GLN A 28 18.780 -9.709 1.123 1.00 43.43 C ATOM 426 C GLN A 28 17.822 -10.617 1.886 1.00 25.15 C ATOM 427 O GLN A 28 18.242 -11.418 2.722 1.00 4.43 O ATOM 428 CB GLN A 28 18.941 -8.380 1.863 1.00 53.53 C ATOM 429 CG GLN A 28 19.262 -8.541 3.340 1.00 44.53 C ATOM 430 CD GLN A 28 19.334 -7.214 4.069 1.00 12.45 C ATOM 431 OE1 GLN A 28 19.399 -6.153 3.448 1.00 55.23 O ATOM 432 NE2 GLN A 28 19.322 -7.266 5.396 1.00 20.03 N ATOM 0 H GLN A 28 17.887 -8.559 -0.386 1.00 72.24 H new ATOM 0 HA GLN A 28 19.750 -10.203 1.063 1.00 43.43 H new ATOM 0 HB2 GLN A 28 19.735 -7.803 1.388 1.00 53.53 H new ATOM 0 HB3 GLN A 28 18.022 -7.803 1.760 1.00 53.53 H new ATOM 0 HG2 GLN A 28 18.502 -9.167 3.807 1.00 44.53 H new ATOM 0 HG3 GLN A 28 20.214 -9.062 3.447 1.00 44.53 H new ATOM 0 HE21 GLN A 28 19.267 -8.167 5.871 1.00 20.03 H new ATOM 0 HE22 GLN A 28 19.368 -6.405 5.941 1.00 20.03 H new ATOM 441 N LYS A 29 16.533 -10.488 1.595 1.00 53.55 N ATOM 442 CA LYS A 29 15.514 -11.297 2.252 1.00 12.14 C ATOM 443 C LYS A 29 15.811 -12.784 2.089 1.00 22.03 C ATOM 444 O LYS A 29 15.849 -13.530 3.068 1.00 1.35 O ATOM 445 CB LYS A 29 14.131 -10.977 1.680 1.00 10.34 C ATOM 446 CG LYS A 29 13.382 -9.909 2.460 1.00 65.40 C ATOM 447 CD LYS A 29 12.259 -9.302 1.637 1.00 60.35 C ATOM 448 CE LYS A 29 11.073 -10.248 1.529 1.00 71.22 C ATOM 449 NZ LYS A 29 10.348 -10.084 0.238 1.00 20.34 N ATOM 0 H LYS A 29 16.168 -9.829 0.907 1.00 53.55 H new ATOM 0 HA LYS A 29 15.525 -11.056 3.315 1.00 12.14 H new ATOM 0 HB2 LYS A 29 14.242 -10.650 0.646 1.00 10.34 H new ATOM 0 HB3 LYS A 29 13.534 -11.889 1.664 1.00 10.34 H new ATOM 0 HG2 LYS A 29 12.972 -10.343 3.372 1.00 65.40 H new ATOM 0 HG3 LYS A 29 14.076 -9.125 2.764 1.00 65.40 H new ATOM 0 HD2 LYS A 29 11.938 -8.365 2.092 1.00 60.35 H new ATOM 0 HD3 LYS A 29 12.626 -9.062 0.639 1.00 60.35 H new ATOM 0 HE2 LYS A 29 11.420 -11.277 1.623 1.00 71.22 H new ATOM 0 HE3 LYS A 29 10.387 -10.066 2.356 1.00 71.22 H new ATOM 0 HZ1 LYS A 29 9.350 -10.346 0.365 1.00 20.34 H new ATOM 0 HZ2 LYS A 29 10.409 -9.093 -0.071 1.00 20.34 H new ATOM 0 HZ3 LYS A 29 10.778 -10.698 -0.482 1.00 20.34 H new ATOM 463 N ILE A 30 16.023 -13.208 0.848 1.00 54.21 N ATOM 464 CA ILE A 30 16.319 -14.605 0.558 1.00 22.23 C ATOM 465 C ILE A 30 17.750 -14.956 0.950 1.00 24.03 C ATOM 466 O ILE A 30 18.024 -16.061 1.418 1.00 74.23 O ATOM 467 CB ILE A 30 16.114 -14.927 -0.934 1.00 0.22 C ATOM 468 CG1 ILE A 30 14.671 -14.631 -1.348 1.00 30.41 C ATOM 469 CG2 ILE A 30 16.465 -16.380 -1.215 1.00 73.15 C ATOM 470 CD1 ILE A 30 14.513 -13.330 -2.102 1.00 42.23 C ATOM 0 H ILE A 30 15.995 -12.604 0.027 1.00 54.21 H new ATOM 0 HA ILE A 30 15.625 -15.203 1.149 1.00 22.23 H new ATOM 0 HB ILE A 30 16.778 -14.294 -1.522 1.00 0.22 H new ATOM 0 HG12 ILE A 30 14.305 -15.448 -1.969 1.00 30.41 H new ATOM 0 HG13 ILE A 30 14.044 -14.603 -0.457 1.00 30.41 H new ATOM 0 HG21 ILE A 30 16.315 -16.592 -2.274 1.00 73.15 H new ATOM 0 HG22 ILE A 30 17.508 -16.560 -0.953 1.00 73.15 H new ATOM 0 HG23 ILE A 30 15.824 -17.031 -0.620 1.00 73.15 H new ATOM 0 HD11 ILE A 30 13.465 -13.186 -2.363 1.00 42.23 H new ATOM 0 HD12 ILE A 30 14.848 -12.503 -1.475 1.00 42.23 H new ATOM 0 HD13 ILE A 30 15.113 -13.362 -3.012 1.00 42.23 H new ATOM 482 N ALA A 31 18.660 -14.007 0.758 1.00 4.32 N ATOM 483 CA ALA A 31 20.063 -14.214 1.095 1.00 3.32 C ATOM 484 C ALA A 31 20.221 -14.639 2.551 1.00 2.42 C ATOM 485 O ALA A 31 20.919 -15.607 2.853 1.00 74.20 O ATOM 486 CB ALA A 31 20.864 -12.949 0.823 1.00 52.22 C ATOM 0 H ALA A 31 18.451 -13.087 0.371 1.00 4.32 H new ATOM 0 HA ALA A 31 20.447 -15.017 0.465 1.00 3.32 H new ATOM 0 HB1 ALA A 31 21.910 -13.118 1.079 1.00 52.22 H new ATOM 0 HB2 ALA A 31 20.787 -12.689 -0.233 1.00 52.22 H new ATOM 0 HB3 ALA A 31 20.470 -12.132 1.427 1.00 52.22 H new ATOM 492 N ASP A 32 19.570 -13.908 3.450 1.00 62.14 N ATOM 493 CA ASP A 32 19.638 -14.210 4.875 1.00 41.22 C ATOM 494 C ASP A 32 18.760 -15.409 5.219 1.00 41.11 C ATOM 495 O ASP A 32 18.973 -16.079 6.230 1.00 41.52 O ATOM 496 CB ASP A 32 19.207 -12.994 5.696 1.00 1.24 C ATOM 497 CG ASP A 32 20.193 -11.846 5.593 1.00 75.32 C ATOM 498 OD1 ASP A 32 20.610 -11.325 6.648 1.00 31.14 O ATOM 499 OD2 ASP A 32 20.547 -11.470 4.456 1.00 21.13 O ATOM 0 H ASP A 32 18.989 -13.102 3.217 1.00 62.14 H new ATOM 0 HA ASP A 32 20.671 -14.457 5.120 1.00 41.22 H new ATOM 0 HB2 ASP A 32 18.227 -12.659 5.356 1.00 1.24 H new ATOM 0 HB3 ASP A 32 19.100 -13.284 6.741 1.00 1.24 H new ATOM 504 N LYS A 33 17.771 -15.674 4.372 1.00 42.01 N ATOM 505 CA LYS A 33 16.860 -16.792 4.585 1.00 71.11 C ATOM 506 C LYS A 33 17.568 -18.123 4.353 1.00 40.04 C ATOM 507 O LYS A 33 17.440 -19.051 5.150 1.00 30.21 O ATOM 508 CB LYS A 33 15.651 -16.676 3.653 1.00 22.15 C ATOM 509 CG LYS A 33 14.633 -17.788 3.837 1.00 14.35 C ATOM 510 CD LYS A 33 13.912 -17.669 5.170 1.00 53.43 C ATOM 511 CE LYS A 33 12.729 -16.717 5.080 1.00 13.22 C ATOM 512 NZ LYS A 33 11.696 -17.017 6.110 1.00 31.30 N ATOM 0 H LYS A 33 17.580 -15.129 3.531 1.00 42.01 H new ATOM 0 HA LYS A 33 16.519 -16.758 5.620 1.00 71.11 H new ATOM 0 HB2 LYS A 33 15.163 -15.716 3.822 1.00 22.15 H new ATOM 0 HB3 LYS A 33 15.998 -16.679 2.620 1.00 22.15 H new ATOM 0 HG2 LYS A 33 13.906 -17.755 3.025 1.00 14.35 H new ATOM 0 HG3 LYS A 33 15.134 -18.754 3.778 1.00 14.35 H new ATOM 0 HD2 LYS A 33 13.566 -18.653 5.487 1.00 53.43 H new ATOM 0 HD3 LYS A 33 14.608 -17.316 5.931 1.00 53.43 H new ATOM 0 HE2 LYS A 33 13.078 -15.692 5.203 1.00 13.22 H new ATOM 0 HE3 LYS A 33 12.283 -16.785 4.088 1.00 13.22 H new ATOM 0 HZ1 LYS A 33 10.907 -16.347 6.015 1.00 31.30 H new ATOM 0 HZ2 LYS A 33 11.345 -17.987 5.977 1.00 31.30 H new ATOM 0 HZ3 LYS A 33 12.115 -16.927 7.058 1.00 31.30 H new ATOM 526 N GLU A 34 18.316 -18.207 3.257 1.00 74.24 N ATOM 527 CA GLU A 34 19.044 -19.425 2.921 1.00 21.14 C ATOM 528 C GLU A 34 20.543 -19.241 3.142 1.00 12.23 C ATOM 529 O GLU A 34 21.352 -20.047 2.687 1.00 63.52 O ATOM 530 CB GLU A 34 18.777 -19.822 1.468 1.00 33.21 C ATOM 531 CG GLU A 34 17.469 -20.570 1.272 1.00 32.34 C ATOM 532 CD GLU A 34 17.612 -22.063 1.495 1.00 33.44 C ATOM 533 OE1 GLU A 34 18.148 -22.748 0.599 1.00 51.21 O ATOM 534 OE2 GLU A 34 17.188 -22.547 2.565 1.00 35.35 O ATOM 0 H GLU A 34 18.434 -17.447 2.587 1.00 74.24 H new ATOM 0 HA GLU A 34 18.692 -20.221 3.578 1.00 21.14 H new ATOM 0 HB2 GLU A 34 18.768 -18.924 0.851 1.00 33.21 H new ATOM 0 HB3 GLU A 34 19.598 -20.445 1.113 1.00 33.21 H new ATOM 0 HG2 GLU A 34 16.722 -20.174 1.959 1.00 32.34 H new ATOM 0 HG3 GLU A 34 17.100 -20.391 0.262 1.00 32.34 H new ATOM 541 N GLY A 35 20.905 -18.171 3.845 1.00 75.41 N ATOM 542 CA GLY A 35 22.304 -17.899 4.114 1.00 64.23 C ATOM 543 C GLY A 35 23.150 -17.917 2.856 1.00 24.10 C ATOM 544 O GLY A 35 24.321 -18.298 2.892 1.00 54.15 O ATOM 0 H GLY A 35 20.254 -17.488 4.232 1.00 75.41 H new ATOM 0 HA2 GLY A 35 22.396 -16.926 4.596 1.00 64.23 H new ATOM 0 HA3 GLY A 35 22.687 -18.640 4.816 1.00 64.23 H new ATOM 548 N VAL A 36 22.557 -17.506 1.740 1.00 44.33 N ATOM 549 CA VAL A 36 23.264 -17.476 0.465 1.00 70.53 C ATOM 550 C VAL A 36 23.471 -16.045 -0.016 1.00 54.34 C ATOM 551 O VAL A 36 22.737 -15.127 0.353 1.00 62.40 O ATOM 552 CB VAL A 36 22.503 -18.265 -0.617 1.00 75.21 C ATOM 553 CG1 VAL A 36 22.690 -19.762 -0.418 1.00 54.44 C ATOM 554 CG2 VAL A 36 21.026 -17.898 -0.604 1.00 4.31 C ATOM 0 H VAL A 36 21.589 -17.189 1.693 1.00 44.33 H new ATOM 0 HA VAL A 36 24.235 -17.944 0.631 1.00 70.53 H new ATOM 0 HB VAL A 36 22.912 -17.998 -1.591 1.00 75.21 H new ATOM 0 HG11 VAL A 36 22.145 -20.303 -1.192 1.00 54.44 H new ATOM 0 HG12 VAL A 36 23.750 -20.008 -0.481 1.00 54.44 H new ATOM 0 HG13 VAL A 36 22.309 -20.049 0.562 1.00 54.44 H new ATOM 0 HG21 VAL A 36 20.503 -18.465 -1.375 1.00 4.31 H new ATOM 0 HG22 VAL A 36 20.601 -18.135 0.371 1.00 4.31 H new ATOM 0 HG23 VAL A 36 20.914 -16.831 -0.799 1.00 4.31 H new ATOM 564 N PRO A 37 24.493 -15.846 -0.862 1.00 30.33 N ATOM 565 CA PRO A 37 24.820 -14.528 -1.413 1.00 53.11 C ATOM 566 C PRO A 37 23.773 -14.041 -2.410 1.00 4.24 C ATOM 567 O PRO A 37 23.062 -14.840 -3.019 1.00 3.00 O ATOM 568 CB PRO A 37 26.160 -14.759 -2.115 1.00 60.54 C ATOM 569 CG PRO A 37 26.167 -16.211 -2.449 1.00 70.41 C ATOM 570 CD PRO A 37 25.408 -16.894 -1.345 1.00 4.25 C ATOM 0 HA PRO A 37 24.855 -13.760 -0.640 1.00 53.11 H new ATOM 0 HB2 PRO A 37 26.248 -14.146 -3.012 1.00 60.54 H new ATOM 0 HB3 PRO A 37 26.997 -14.498 -1.467 1.00 60.54 H new ATOM 0 HG2 PRO A 37 25.696 -16.391 -3.416 1.00 70.41 H new ATOM 0 HG3 PRO A 37 27.186 -16.591 -2.515 1.00 70.41 H new ATOM 0 HD2 PRO A 37 24.864 -17.765 -1.710 1.00 4.25 H new ATOM 0 HD3 PRO A 37 26.074 -17.242 -0.555 1.00 4.25 H new ATOM 578 N VAL A 38 23.684 -12.724 -2.571 1.00 64.43 N ATOM 579 CA VAL A 38 22.726 -12.131 -3.496 1.00 13.25 C ATOM 580 C VAL A 38 22.913 -12.676 -4.907 1.00 10.21 C ATOM 581 O VAL A 38 21.983 -12.670 -5.714 1.00 64.01 O ATOM 582 CB VAL A 38 22.854 -10.596 -3.528 1.00 60.24 C ATOM 583 CG1 VAL A 38 22.370 -9.992 -2.219 1.00 54.54 C ATOM 584 CG2 VAL A 38 24.291 -10.188 -3.814 1.00 64.21 C ATOM 0 H VAL A 38 24.264 -12.048 -2.073 1.00 64.43 H new ATOM 0 HA VAL A 38 21.732 -12.398 -3.137 1.00 13.25 H new ATOM 0 HB VAL A 38 22.225 -10.213 -4.331 1.00 60.24 H new ATOM 0 HG11 VAL A 38 22.468 -8.907 -2.261 1.00 54.54 H new ATOM 0 HG12 VAL A 38 21.324 -10.256 -2.061 1.00 54.54 H new ATOM 0 HG13 VAL A 38 22.970 -10.379 -1.396 1.00 54.54 H new ATOM 0 HG21 VAL A 38 24.364 -9.101 -3.833 1.00 64.21 H new ATOM 0 HG22 VAL A 38 24.943 -10.582 -3.034 1.00 64.21 H new ATOM 0 HG23 VAL A 38 24.598 -10.589 -4.780 1.00 64.21 H new ATOM 594 N ASP A 39 24.121 -13.147 -5.198 1.00 14.33 N ATOM 595 CA ASP A 39 24.430 -13.698 -6.512 1.00 4.40 C ATOM 596 C ASP A 39 23.544 -14.900 -6.820 1.00 30.43 C ATOM 597 O ASP A 39 23.335 -15.248 -7.982 1.00 0.53 O ATOM 598 CB ASP A 39 25.904 -14.102 -6.585 1.00 34.24 C ATOM 599 CG ASP A 39 26.458 -14.020 -7.993 1.00 52.14 C ATOM 600 OD1 ASP A 39 26.842 -12.909 -8.416 1.00 74.14 O ATOM 601 OD2 ASP A 39 26.508 -15.066 -8.673 1.00 25.44 O ATOM 0 H ASP A 39 24.902 -13.158 -4.542 1.00 14.33 H new ATOM 0 HA ASP A 39 24.235 -12.927 -7.257 1.00 4.40 H new ATOM 0 HB2 ASP A 39 26.488 -13.455 -5.930 1.00 34.24 H new ATOM 0 HB3 ASP A 39 26.018 -15.120 -6.212 1.00 34.24 H new ATOM 606 N GLN A 40 23.027 -15.532 -5.771 1.00 1.03 N ATOM 607 CA GLN A 40 22.165 -16.697 -5.930 1.00 31.13 C ATOM 608 C GLN A 40 20.732 -16.276 -6.239 1.00 1.21 C ATOM 609 O GLN A 40 19.926 -17.081 -6.704 1.00 11.11 O ATOM 610 CB GLN A 40 22.195 -17.556 -4.665 1.00 33.44 C ATOM 611 CG GLN A 40 23.389 -18.495 -4.594 1.00 53.44 C ATOM 612 CD GLN A 40 23.092 -19.760 -3.814 1.00 13.33 C ATOM 613 OE1 GLN A 40 21.950 -20.010 -3.426 1.00 60.44 O ATOM 614 NE2 GLN A 40 24.120 -20.566 -3.578 1.00 44.33 N ATOM 0 H GLN A 40 23.190 -15.257 -4.802 1.00 1.03 H new ATOM 0 HA GLN A 40 22.541 -17.284 -6.768 1.00 31.13 H new ATOM 0 HB2 GLN A 40 22.205 -16.903 -3.793 1.00 33.44 H new ATOM 0 HB3 GLN A 40 21.278 -18.143 -4.613 1.00 33.44 H new ATOM 0 HG2 GLN A 40 23.698 -18.760 -5.605 1.00 53.44 H new ATOM 0 HG3 GLN A 40 24.228 -17.976 -4.130 1.00 53.44 H new ATOM 0 HE21 GLN A 40 25.050 -20.320 -3.918 1.00 44.33 H new ATOM 0 HE22 GLN A 40 23.980 -21.431 -3.057 1.00 44.33 H new ATOM 623 N GLN A 41 20.423 -15.010 -5.977 1.00 1.01 N ATOM 624 CA GLN A 41 19.087 -14.483 -6.227 1.00 34.04 C ATOM 625 C GLN A 41 19.050 -13.685 -7.526 1.00 30.30 C ATOM 626 O GLN A 41 19.920 -12.852 -7.779 1.00 1.02 O ATOM 627 CB GLN A 41 18.637 -13.601 -5.060 1.00 70.42 C ATOM 628 CG GLN A 41 18.500 -14.354 -3.746 1.00 44.33 C ATOM 629 CD GLN A 41 17.831 -15.704 -3.914 1.00 2.44 C ATOM 630 OE1 GLN A 41 16.611 -15.699 -4.438 1.00 10.32 O flip ATOM 631 NE2 GLN A 41 18.404 -16.740 -3.575 1.00 44.03 N flip ATOM 0 H GLN A 41 21.079 -14.331 -5.592 1.00 1.01 H new ATOM 0 HA GLN A 41 18.403 -15.327 -6.321 1.00 34.04 H new ATOM 0 HB2 GLN A 41 19.353 -12.790 -4.931 1.00 70.42 H new ATOM 0 HB3 GLN A 41 17.679 -13.144 -5.309 1.00 70.42 H new ATOM 0 HG2 GLN A 41 19.488 -14.494 -3.307 1.00 44.33 H new ATOM 0 HG3 GLN A 41 17.923 -13.751 -3.045 1.00 44.33 H new ATOM 0 HE21 GLN A 41 19.342 -16.697 -3.176 1.00 44.03 H new ATOM 0 HE22 GLN A 41 17.941 -17.641 -3.693 1.00 44.03 H new ATOM 640 N ARG A 42 18.038 -13.947 -8.347 1.00 12.34 N ATOM 641 CA ARG A 42 17.889 -13.254 -9.621 1.00 31.12 C ATOM 642 C ARG A 42 16.456 -12.765 -9.810 1.00 11.04 C ATOM 643 O ARG A 42 15.535 -13.563 -9.989 1.00 13.32 O ATOM 644 CB ARG A 42 18.280 -14.177 -10.776 1.00 63.31 C ATOM 645 CG ARG A 42 18.883 -13.445 -11.964 1.00 12.22 C ATOM 646 CD ARG A 42 20.386 -13.274 -11.809 1.00 70.31 C ATOM 647 NE ARG A 42 21.043 -13.027 -13.090 1.00 4.05 N ATOM 648 CZ ARG A 42 21.324 -13.983 -13.968 1.00 44.22 C ATOM 649 NH1 ARG A 42 21.007 -15.243 -13.706 1.00 75.01 N ATOM 650 NH2 ARG A 42 21.924 -13.679 -15.112 1.00 42.30 N ATOM 0 H ARG A 42 17.309 -14.634 -8.153 1.00 12.34 H new ATOM 0 HA ARG A 42 18.552 -12.389 -9.615 1.00 31.12 H new ATOM 0 HB2 ARG A 42 18.996 -14.915 -10.414 1.00 63.31 H new ATOM 0 HB3 ARG A 42 17.397 -14.724 -11.107 1.00 63.31 H new ATOM 0 HG2 ARG A 42 18.671 -13.998 -12.879 1.00 12.22 H new ATOM 0 HG3 ARG A 42 18.413 -12.467 -12.067 1.00 12.22 H new ATOM 0 HD2 ARG A 42 20.589 -12.444 -11.132 1.00 70.31 H new ATOM 0 HD3 ARG A 42 20.808 -14.169 -11.352 1.00 70.31 H new ATOM 0 HE ARG A 42 21.300 -12.068 -13.323 1.00 4.05 H new ATOM 0 HH11 ARG A 42 20.546 -15.481 -12.828 1.00 75.01 H new ATOM 0 HH12 ARG A 42 21.224 -15.975 -14.383 1.00 75.01 H new ATOM 0 HH21 ARG A 42 22.170 -12.711 -15.317 1.00 42.30 H new ATOM 0 HH22 ARG A 42 22.140 -14.414 -15.786 1.00 42.30 H new ATOM 664 N LEU A 43 16.275 -11.450 -9.768 1.00 0.44 N ATOM 665 CA LEU A 43 14.954 -10.853 -9.934 1.00 20.25 C ATOM 666 C LEU A 43 14.779 -10.302 -11.345 1.00 0.52 C ATOM 667 O LEU A 43 15.633 -9.569 -11.846 1.00 31.33 O ATOM 668 CB LEU A 43 14.744 -9.738 -8.908 1.00 12.11 C ATOM 669 CG LEU A 43 14.786 -10.160 -7.439 1.00 34.31 C ATOM 670 CD1 LEU A 43 14.974 -8.948 -6.540 1.00 61.21 C ATOM 671 CD2 LEU A 43 13.517 -10.912 -7.064 1.00 71.50 C ATOM 0 H LEU A 43 17.026 -10.776 -9.620 1.00 0.44 H new ATOM 0 HA LEU A 43 14.208 -11.631 -9.773 1.00 20.25 H new ATOM 0 HB2 LEU A 43 15.507 -8.976 -9.068 1.00 12.11 H new ATOM 0 HB3 LEU A 43 13.779 -9.269 -9.103 1.00 12.11 H new ATOM 0 HG LEU A 43 15.636 -10.827 -7.297 1.00 34.31 H new ATOM 0 HD11 LEU A 43 15.001 -9.268 -5.498 1.00 61.21 H new ATOM 0 HD12 LEU A 43 15.911 -8.450 -6.791 1.00 61.21 H new ATOM 0 HD13 LEU A 43 14.145 -8.255 -6.685 1.00 61.21 H new ATOM 0 HD21 LEU A 43 13.564 -11.205 -6.015 1.00 71.50 H new ATOM 0 HD22 LEU A 43 12.652 -10.268 -7.223 1.00 71.50 H new ATOM 0 HD23 LEU A 43 13.425 -11.803 -7.685 1.00 71.50 H new ATOM 683 N ILE A 44 13.667 -10.656 -11.979 1.00 72.13 N ATOM 684 CA ILE A 44 13.379 -10.194 -13.331 1.00 54.42 C ATOM 685 C ILE A 44 11.934 -9.722 -13.454 1.00 52.45 C ATOM 686 O ILE A 44 11.022 -10.325 -12.889 1.00 32.12 O ATOM 687 CB ILE A 44 13.636 -11.300 -14.371 1.00 50.25 C ATOM 688 CG1 ILE A 44 15.072 -11.815 -14.255 1.00 71.23 C ATOM 689 CG2 ILE A 44 13.366 -10.780 -15.775 1.00 41.45 C ATOM 690 CD1 ILE A 44 15.367 -12.991 -15.161 1.00 1.44 C ATOM 0 H ILE A 44 12.950 -11.261 -11.578 1.00 72.13 H new ATOM 0 HA ILE A 44 14.050 -9.358 -13.529 1.00 54.42 H new ATOM 0 HB ILE A 44 12.956 -12.129 -14.174 1.00 50.25 H new ATOM 0 HG12 ILE A 44 15.761 -11.004 -14.490 1.00 71.23 H new ATOM 0 HG13 ILE A 44 15.263 -12.106 -13.222 1.00 71.23 H new ATOM 0 HG21 ILE A 44 13.552 -11.573 -16.499 1.00 41.45 H new ATOM 0 HG22 ILE A 44 12.328 -10.457 -15.850 1.00 41.45 H new ATOM 0 HG23 ILE A 44 14.024 -9.937 -15.984 1.00 41.45 H new ATOM 0 HD11 ILE A 44 16.403 -13.303 -15.026 1.00 1.44 H new ATOM 0 HD12 ILE A 44 14.703 -13.818 -14.911 1.00 1.44 H new ATOM 0 HD13 ILE A 44 15.208 -12.699 -16.199 1.00 1.44 H new ATOM 702 N PHE A 45 11.732 -8.640 -14.199 1.00 42.42 N ATOM 703 CA PHE A 45 10.398 -8.086 -14.398 1.00 73.42 C ATOM 704 C PHE A 45 10.128 -7.836 -15.879 1.00 71.10 C ATOM 705 O PHE A 45 10.670 -6.903 -16.470 1.00 51.15 O ATOM 706 CB PHE A 45 10.240 -6.783 -13.612 1.00 65.02 C ATOM 707 CG PHE A 45 8.810 -6.371 -13.414 1.00 74.24 C ATOM 708 CD1 PHE A 45 8.017 -6.029 -14.498 1.00 42.11 C ATOM 709 CD2 PHE A 45 8.257 -6.326 -12.144 1.00 43.24 C ATOM 710 CE1 PHE A 45 6.700 -5.650 -14.320 1.00 0.23 C ATOM 711 CE2 PHE A 45 6.941 -5.948 -11.960 1.00 13.01 C ATOM 712 CZ PHE A 45 6.162 -5.608 -13.049 1.00 35.44 C ATOM 0 H PHE A 45 12.476 -8.129 -14.675 1.00 42.42 H new ATOM 0 HA PHE A 45 9.673 -8.812 -14.032 1.00 73.42 H new ATOM 0 HB2 PHE A 45 10.715 -6.896 -12.638 1.00 65.02 H new ATOM 0 HB3 PHE A 45 10.770 -5.987 -14.134 1.00 65.02 H new ATOM 0 HD1 PHE A 45 8.433 -6.059 -15.494 1.00 42.11 H new ATOM 0 HD2 PHE A 45 8.862 -6.589 -11.289 1.00 43.24 H new ATOM 0 HE1 PHE A 45 6.093 -5.387 -15.173 1.00 0.23 H new ATOM 0 HE2 PHE A 45 6.521 -5.918 -10.965 1.00 13.01 H new ATOM 0 HZ PHE A 45 5.134 -5.310 -12.906 1.00 35.44 H new ATOM 722 N ALA A 46 9.287 -8.677 -16.472 1.00 32.35 N ATOM 723 CA ALA A 46 8.943 -8.547 -17.882 1.00 65.31 C ATOM 724 C ALA A 46 10.194 -8.563 -18.755 1.00 74.11 C ATOM 725 O ALA A 46 10.221 -7.961 -19.827 1.00 45.34 O ATOM 726 CB ALA A 46 8.150 -7.271 -18.117 1.00 13.34 C ATOM 0 H ALA A 46 8.831 -9.456 -15.997 1.00 32.35 H new ATOM 0 HA ALA A 46 8.326 -9.401 -18.160 1.00 65.31 H new ATOM 0 HB1 ALA A 46 7.900 -7.187 -19.175 1.00 13.34 H new ATOM 0 HB2 ALA A 46 7.233 -7.299 -17.529 1.00 13.34 H new ATOM 0 HB3 ALA A 46 8.748 -6.411 -17.816 1.00 13.34 H new ATOM 732 N GLY A 47 11.228 -9.256 -18.288 1.00 33.12 N ATOM 733 CA GLY A 47 12.467 -9.336 -19.038 1.00 61.35 C ATOM 734 C GLY A 47 13.438 -8.230 -18.675 1.00 32.33 C ATOM 735 O GLY A 47 14.378 -7.949 -19.419 1.00 12.05 O ATOM 0 H GLY A 47 11.229 -9.764 -17.403 1.00 33.12 H new ATOM 0 HA2 GLY A 47 12.937 -10.302 -18.855 1.00 61.35 H new ATOM 0 HA3 GLY A 47 12.246 -9.286 -20.104 1.00 61.35 H new ATOM 739 N LYS A 48 13.210 -7.599 -17.528 1.00 24.22 N ATOM 740 CA LYS A 48 14.071 -6.517 -17.066 1.00 2.22 C ATOM 741 C LYS A 48 14.704 -6.861 -15.721 1.00 71.22 C ATOM 742 O LYS A 48 14.008 -7.220 -14.772 1.00 12.41 O ATOM 743 CB LYS A 48 13.272 -5.217 -16.947 1.00 61.14 C ATOM 744 CG LYS A 48 12.818 -4.659 -18.285 1.00 13.52 C ATOM 745 CD LYS A 48 11.464 -5.216 -18.691 1.00 13.11 C ATOM 746 CE LYS A 48 10.966 -4.585 -19.982 1.00 15.51 C ATOM 747 NZ LYS A 48 9.724 -5.240 -20.477 1.00 34.42 N ATOM 0 H LYS A 48 12.436 -7.819 -16.901 1.00 24.22 H new ATOM 0 HA LYS A 48 14.867 -6.382 -17.799 1.00 2.22 H new ATOM 0 HB2 LYS A 48 12.398 -5.394 -16.321 1.00 61.14 H new ATOM 0 HB3 LYS A 48 13.882 -4.470 -16.439 1.00 61.14 H new ATOM 0 HG2 LYS A 48 12.763 -3.572 -18.227 1.00 13.52 H new ATOM 0 HG3 LYS A 48 13.556 -4.900 -19.050 1.00 13.52 H new ATOM 0 HD2 LYS A 48 11.537 -6.296 -18.817 1.00 13.11 H new ATOM 0 HD3 LYS A 48 10.742 -5.036 -17.895 1.00 13.11 H new ATOM 0 HE2 LYS A 48 10.776 -3.524 -19.818 1.00 15.51 H new ATOM 0 HE3 LYS A 48 11.742 -4.656 -20.744 1.00 15.51 H new ATOM 0 HZ1 LYS A 48 9.638 -5.092 -21.503 1.00 34.42 H new ATOM 0 HZ2 LYS A 48 9.766 -6.260 -20.277 1.00 34.42 H new ATOM 0 HZ3 LYS A 48 8.899 -4.827 -19.997 1.00 34.42 H new ATOM 761 N GLN A 49 16.026 -6.748 -15.648 1.00 62.34 N ATOM 762 CA GLN A 49 16.751 -7.047 -14.419 1.00 64.32 C ATOM 763 C GLN A 49 16.657 -5.886 -13.435 1.00 75.11 C ATOM 764 O GLN A 49 16.996 -4.749 -13.765 1.00 63.14 O ATOM 765 CB GLN A 49 18.218 -7.351 -14.729 1.00 4.35 C ATOM 766 CG GLN A 49 18.459 -8.776 -15.199 1.00 31.12 C ATOM 767 CD GLN A 49 18.927 -9.688 -14.082 1.00 4.11 C ATOM 768 OE1 GLN A 49 20.075 -10.134 -14.070 1.00 30.25 O ATOM 769 NE2 GLN A 49 18.040 -9.970 -13.136 1.00 14.45 N ATOM 0 H GLN A 49 16.617 -6.452 -16.425 1.00 62.34 H new ATOM 0 HA GLN A 49 16.294 -7.924 -13.962 1.00 64.32 H new ATOM 0 HB2 GLN A 49 18.569 -6.660 -15.496 1.00 4.35 H new ATOM 0 HB3 GLN A 49 18.815 -7.166 -13.836 1.00 4.35 H new ATOM 0 HG2 GLN A 49 17.539 -9.174 -15.626 1.00 31.12 H new ATOM 0 HG3 GLN A 49 19.204 -8.771 -15.995 1.00 31.12 H new ATOM 0 HE21 GLN A 49 17.099 -9.578 -13.186 1.00 14.45 H new ATOM 0 HE22 GLN A 49 18.299 -10.578 -12.359 1.00 14.45 H new ATOM 778 N LEU A 50 16.192 -6.179 -12.225 1.00 44.13 N ATOM 779 CA LEU A 50 16.052 -5.159 -11.192 1.00 3.20 C ATOM 780 C LEU A 50 17.385 -4.903 -10.495 1.00 33.21 C ATOM 781 O LEU A 50 17.983 -5.815 -9.925 1.00 75.53 O ATOM 782 CB LEU A 50 15.001 -5.585 -10.166 1.00 55.12 C ATOM 783 CG LEU A 50 13.609 -5.894 -10.720 1.00 64.33 C ATOM 784 CD1 LEU A 50 13.223 -4.883 -11.789 1.00 22.24 C ATOM 785 CD2 LEU A 50 13.561 -7.309 -11.279 1.00 55.25 C ATOM 0 H LEU A 50 15.906 -7.114 -11.936 1.00 44.13 H new ATOM 0 HA LEU A 50 15.730 -4.234 -11.671 1.00 3.20 H new ATOM 0 HB2 LEU A 50 15.368 -6.470 -9.646 1.00 55.12 H new ATOM 0 HB3 LEU A 50 14.907 -4.794 -9.422 1.00 55.12 H new ATOM 0 HG LEU A 50 12.889 -5.821 -9.905 1.00 64.33 H new ATOM 0 HD11 LEU A 50 12.230 -5.119 -12.171 1.00 22.24 H new ATOM 0 HD12 LEU A 50 13.217 -3.882 -11.358 1.00 22.24 H new ATOM 0 HD13 LEU A 50 13.945 -4.923 -12.605 1.00 22.24 H new ATOM 0 HD21 LEU A 50 12.564 -7.512 -11.669 1.00 55.25 H new ATOM 0 HD22 LEU A 50 14.292 -7.408 -12.082 1.00 55.25 H new ATOM 0 HD23 LEU A 50 13.793 -8.021 -10.487 1.00 55.25 H new ATOM 797 N GLU A 51 17.842 -3.656 -10.543 1.00 3.01 N ATOM 798 CA GLU A 51 19.104 -3.281 -9.914 1.00 55.04 C ATOM 799 C GLU A 51 18.861 -2.616 -8.563 1.00 1.43 C ATOM 800 O GLU A 51 17.777 -2.095 -8.301 1.00 12.51 O ATOM 801 CB GLU A 51 19.892 -2.338 -10.825 1.00 43.13 C ATOM 802 CG GLU A 51 20.799 -3.059 -11.809 1.00 0.43 C ATOM 803 CD GLU A 51 21.988 -2.217 -12.230 1.00 60.34 C ATOM 804 OE1 GLU A 51 21.894 -1.540 -13.276 1.00 21.42 O ATOM 805 OE2 GLU A 51 23.012 -2.236 -11.516 1.00 11.20 O ATOM 0 H GLU A 51 17.358 -2.889 -11.010 1.00 3.01 H new ATOM 0 HA GLU A 51 19.685 -4.189 -9.753 1.00 55.04 H new ATOM 0 HB2 GLU A 51 19.192 -1.713 -11.380 1.00 43.13 H new ATOM 0 HB3 GLU A 51 20.495 -1.671 -10.209 1.00 43.13 H new ATOM 0 HG2 GLU A 51 21.156 -3.985 -11.358 1.00 0.43 H new ATOM 0 HG3 GLU A 51 20.224 -3.336 -12.692 1.00 0.43 H new ATOM 812 N ASP A 52 19.878 -2.638 -7.708 1.00 70.12 N ATOM 813 CA ASP A 52 19.777 -2.037 -6.383 1.00 51.04 C ATOM 814 C ASP A 52 19.407 -0.560 -6.483 1.00 60.44 C ATOM 815 O ASP A 52 18.843 0.013 -5.551 1.00 62.05 O ATOM 816 CB ASP A 52 21.096 -2.195 -5.626 1.00 44.13 C ATOM 817 CG ASP A 52 22.294 -1.783 -6.459 1.00 5.12 C ATOM 818 OD1 ASP A 52 22.777 -0.644 -6.283 1.00 34.25 O ATOM 819 OD2 ASP A 52 22.751 -2.599 -7.286 1.00 74.40 O ATOM 0 H ASP A 52 20.782 -3.066 -7.909 1.00 70.12 H new ATOM 0 HA ASP A 52 18.989 -2.554 -5.836 1.00 51.04 H new ATOM 0 HB2 ASP A 52 21.065 -1.594 -4.718 1.00 44.13 H new ATOM 0 HB3 ASP A 52 21.212 -3.234 -5.317 1.00 44.13 H new ATOM 824 N SER A 53 19.729 0.050 -7.620 1.00 25.45 N ATOM 825 CA SER A 53 19.436 1.461 -7.839 1.00 73.15 C ATOM 826 C SER A 53 18.142 1.630 -8.631 1.00 64.52 C ATOM 827 O SER A 53 17.892 2.682 -9.218 1.00 44.52 O ATOM 828 CB SER A 53 20.592 2.135 -8.580 1.00 61.14 C ATOM 829 OG SER A 53 20.429 3.542 -8.608 1.00 1.34 O ATOM 0 H SER A 53 20.193 -0.411 -8.403 1.00 25.45 H new ATOM 0 HA SER A 53 19.312 1.936 -6.866 1.00 73.15 H new ATOM 0 HB2 SER A 53 21.535 1.885 -8.094 1.00 61.14 H new ATOM 0 HB3 SER A 53 20.647 1.752 -9.599 1.00 61.14 H new ATOM 0 HG SER A 53 19.499 3.759 -8.829 1.00 1.34 H new ATOM 835 N LYS A 54 17.323 0.584 -8.643 1.00 32.22 N ATOM 836 CA LYS A 54 16.054 0.614 -9.360 1.00 72.34 C ATOM 837 C LYS A 54 14.940 -0.005 -8.522 1.00 31.01 C ATOM 838 O LYS A 54 14.940 -1.208 -8.260 1.00 63.53 O ATOM 839 CB LYS A 54 16.179 -0.132 -10.691 1.00 42.20 C ATOM 840 CG LYS A 54 17.199 0.479 -11.637 1.00 33.02 C ATOM 841 CD LYS A 54 16.867 0.172 -13.088 1.00 3.44 C ATOM 842 CE LYS A 54 15.704 1.017 -13.584 1.00 72.01 C ATOM 843 NZ LYS A 54 16.011 2.473 -13.526 1.00 70.02 N ATOM 0 H LYS A 54 17.516 -0.296 -8.164 1.00 32.22 H new ATOM 0 HA LYS A 54 15.801 1.656 -9.556 1.00 72.34 H new ATOM 0 HB2 LYS A 54 16.454 -1.168 -10.493 1.00 42.20 H new ATOM 0 HB3 LYS A 54 15.206 -0.149 -11.181 1.00 42.20 H new ATOM 0 HG2 LYS A 54 17.231 1.559 -11.491 1.00 33.02 H new ATOM 0 HG3 LYS A 54 18.192 0.095 -11.401 1.00 33.02 H new ATOM 0 HD2 LYS A 54 17.743 0.356 -13.710 1.00 3.44 H new ATOM 0 HD3 LYS A 54 16.620 -0.885 -13.190 1.00 3.44 H new ATOM 0 HE2 LYS A 54 15.464 0.737 -14.610 1.00 72.01 H new ATOM 0 HE3 LYS A 54 14.820 0.808 -12.981 1.00 72.01 H new ATOM 0 HZ1 LYS A 54 15.405 2.983 -14.200 1.00 70.02 H new ATOM 0 HZ2 LYS A 54 15.834 2.827 -12.564 1.00 70.02 H new ATOM 0 HZ3 LYS A 54 17.009 2.627 -13.773 1.00 70.02 H new ATOM 857 N THR A 55 13.989 0.825 -8.104 1.00 4.04 N ATOM 858 CA THR A 55 12.870 0.359 -7.295 1.00 54.53 C ATOM 859 C THR A 55 11.611 0.200 -8.140 1.00 15.41 C ATOM 860 O THR A 55 11.591 0.563 -9.316 1.00 30.42 O ATOM 861 CB THR A 55 12.575 1.326 -6.133 1.00 5.41 C ATOM 862 OG1 THR A 55 12.322 2.641 -6.641 1.00 63.02 O ATOM 863 CG2 THR A 55 13.742 1.370 -5.157 1.00 52.43 C ATOM 0 H THR A 55 13.972 1.823 -8.313 1.00 4.04 H new ATOM 0 HA THR A 55 13.157 -0.610 -6.887 1.00 54.53 H new ATOM 0 HB THR A 55 11.692 0.966 -5.605 1.00 5.41 H new ATOM 0 HG1 THR A 55 13.121 2.974 -7.101 1.00 63.02 H new ATOM 0 HG21 THR A 55 13.511 2.059 -4.345 1.00 52.43 H new ATOM 0 HG22 THR A 55 13.913 0.374 -4.750 1.00 52.43 H new ATOM 0 HG23 THR A 55 14.638 1.709 -5.677 1.00 52.43 H new ATOM 871 N MET A 56 10.561 -0.343 -7.532 1.00 52.13 N ATOM 872 CA MET A 56 9.296 -0.548 -8.229 1.00 44.24 C ATOM 873 C MET A 56 8.849 0.731 -8.930 1.00 74.14 C ATOM 874 O MET A 56 8.280 0.685 -10.021 1.00 3.41 O ATOM 875 CB MET A 56 8.217 -1.010 -7.248 1.00 45.11 C ATOM 876 CG MET A 56 8.634 -2.205 -6.406 1.00 74.11 C ATOM 877 SD MET A 56 9.168 -3.607 -7.406 1.00 41.01 S ATOM 878 CE MET A 56 9.747 -4.728 -6.135 1.00 73.50 C ATOM 0 H MET A 56 10.561 -0.649 -6.559 1.00 52.13 H new ATOM 0 HA MET A 56 9.446 -1.321 -8.982 1.00 44.24 H new ATOM 0 HB2 MET A 56 7.960 -0.182 -6.587 1.00 45.11 H new ATOM 0 HB3 MET A 56 7.316 -1.265 -7.805 1.00 45.11 H new ATOM 0 HG2 MET A 56 9.444 -1.910 -5.739 1.00 74.11 H new ATOM 0 HG3 MET A 56 7.798 -2.510 -5.776 1.00 74.11 H new ATOM 0 HE1 MET A 56 10.833 -4.809 -6.188 1.00 73.50 H new ATOM 0 HE2 MET A 56 9.459 -4.347 -5.155 1.00 73.50 H new ATOM 0 HE3 MET A 56 9.302 -5.711 -6.287 1.00 73.50 H new ATOM 888 N ALA A 57 9.108 1.870 -8.297 1.00 23.13 N ATOM 889 CA ALA A 57 8.733 3.161 -8.861 1.00 24.52 C ATOM 890 C ALA A 57 9.629 3.526 -10.040 1.00 23.44 C ATOM 891 O ALA A 57 9.164 4.075 -11.038 1.00 41.31 O ATOM 892 CB ALA A 57 8.797 4.242 -7.792 1.00 70.04 C ATOM 0 H ALA A 57 9.576 1.925 -7.393 1.00 23.13 H new ATOM 0 HA ALA A 57 7.709 3.087 -9.226 1.00 24.52 H new ATOM 0 HB1 ALA A 57 8.515 5.201 -8.227 1.00 70.04 H new ATOM 0 HB2 ALA A 57 8.110 3.994 -6.983 1.00 70.04 H new ATOM 0 HB3 ALA A 57 9.812 4.306 -7.400 1.00 70.04 H new ATOM 898 N ASP A 58 10.916 3.217 -9.917 1.00 15.23 N ATOM 899 CA ASP A 58 11.877 3.513 -10.973 1.00 31.34 C ATOM 900 C ASP A 58 11.445 2.882 -12.293 1.00 11.12 C ATOM 901 O ASP A 58 11.581 3.488 -13.356 1.00 10.31 O ATOM 902 CB ASP A 58 13.267 3.007 -10.582 1.00 53.34 C ATOM 903 CG ASP A 58 13.998 3.971 -9.668 1.00 75.21 C ATOM 904 OD1 ASP A 58 13.696 3.983 -8.456 1.00 40.40 O ATOM 905 OD2 ASP A 58 14.872 4.712 -10.164 1.00 75.43 O ATOM 0 H ASP A 58 11.317 2.762 -9.097 1.00 15.23 H new ATOM 0 HA ASP A 58 11.916 4.594 -11.104 1.00 31.34 H new ATOM 0 HB2 ASP A 58 13.173 2.041 -10.086 1.00 53.34 H new ATOM 0 HB3 ASP A 58 13.859 2.846 -11.483 1.00 53.34 H new ATOM 910 N TYR A 59 10.925 1.662 -12.218 1.00 1.15 N ATOM 911 CA TYR A 59 10.476 0.948 -13.407 1.00 24.32 C ATOM 912 C TYR A 59 9.013 1.257 -13.708 1.00 61.43 C ATOM 913 O TYR A 59 8.415 0.667 -14.608 1.00 5.53 O ATOM 914 CB TYR A 59 10.664 -0.559 -13.223 1.00 73.31 C ATOM 915 CG TYR A 59 12.034 -1.053 -13.628 1.00 41.05 C ATOM 916 CD1 TYR A 59 12.480 -0.926 -14.938 1.00 45.52 C ATOM 917 CD2 TYR A 59 12.882 -1.648 -12.702 1.00 41.35 C ATOM 918 CE1 TYR A 59 13.731 -1.376 -15.313 1.00 45.25 C ATOM 919 CE2 TYR A 59 14.135 -2.099 -13.068 1.00 62.44 C ATOM 920 CZ TYR A 59 14.555 -1.961 -14.375 1.00 23.40 C ATOM 921 OH TYR A 59 15.802 -2.411 -14.744 1.00 23.42 O ATOM 0 H TYR A 59 10.804 1.147 -11.346 1.00 1.15 H new ATOM 0 HA TYR A 59 11.080 1.282 -14.251 1.00 24.32 H new ATOM 0 HB2 TYR A 59 10.490 -0.813 -12.177 1.00 73.31 H new ATOM 0 HB3 TYR A 59 9.910 -1.085 -13.809 1.00 73.31 H new ATOM 0 HD1 TYR A 59 11.838 -0.468 -15.675 1.00 45.52 H new ATOM 0 HD2 TYR A 59 12.556 -1.760 -11.679 1.00 41.35 H new ATOM 0 HE1 TYR A 59 14.062 -1.270 -16.336 1.00 45.25 H new ATOM 0 HE2 TYR A 59 14.783 -2.557 -12.335 1.00 62.44 H new ATOM 0 HH TYR A 59 16.002 -3.245 -14.270 1.00 23.42 H new ATOM 931 N ASN A 60 8.443 2.186 -12.949 1.00 12.24 N ATOM 932 CA ASN A 60 7.049 2.575 -13.133 1.00 44.03 C ATOM 933 C ASN A 60 6.124 1.373 -12.976 1.00 73.52 C ATOM 934 O ASN A 60 5.061 1.309 -13.596 1.00 4.22 O ATOM 935 CB ASN A 60 6.853 3.207 -14.513 1.00 1.12 C ATOM 936 CG ASN A 60 5.566 4.004 -14.606 1.00 4.22 C ATOM 937 OD1 ASN A 60 5.226 4.763 -13.698 1.00 45.31 O ATOM 938 ND2 ASN A 60 4.844 3.834 -15.707 1.00 13.52 N ATOM 0 H ASN A 60 8.924 2.684 -12.200 1.00 12.24 H new ATOM 0 HA ASN A 60 6.797 3.307 -12.366 1.00 44.03 H new ATOM 0 HB2 ASN A 60 7.698 3.859 -14.734 1.00 1.12 H new ATOM 0 HB3 ASN A 60 6.848 2.424 -15.271 1.00 1.12 H new ATOM 0 HD21 ASN A 60 3.968 4.343 -15.826 1.00 13.52 H new ATOM 0 HD22 ASN A 60 5.165 3.194 -16.434 1.00 13.52 H new ATOM 945 N ILE A 61 6.534 0.422 -12.144 1.00 30.25 N ATOM 946 CA ILE A 61 5.741 -0.777 -11.904 1.00 31.43 C ATOM 947 C ILE A 61 5.136 -0.766 -10.504 1.00 3.22 C ATOM 948 O ILE A 61 5.854 -0.845 -9.507 1.00 71.02 O ATOM 949 CB ILE A 61 6.585 -2.054 -12.076 1.00 32.23 C ATOM 950 CG1 ILE A 61 7.955 -1.878 -11.419 1.00 24.02 C ATOM 951 CG2 ILE A 61 6.738 -2.393 -13.551 1.00 20.11 C ATOM 952 CD1 ILE A 61 8.824 -3.115 -11.491 1.00 55.31 C ATOM 0 H ILE A 61 7.411 0.459 -11.625 1.00 30.25 H new ATOM 0 HA ILE A 61 4.940 -0.778 -12.643 1.00 31.43 H new ATOM 0 HB ILE A 61 6.071 -2.880 -11.585 1.00 32.23 H new ATOM 0 HG12 ILE A 61 8.476 -1.050 -11.900 1.00 24.02 H new ATOM 0 HG13 ILE A 61 7.815 -1.603 -10.374 1.00 24.02 H new ATOM 0 HG21 ILE A 61 7.337 -3.298 -13.656 1.00 20.11 H new ATOM 0 HG22 ILE A 61 5.754 -2.556 -13.991 1.00 20.11 H new ATOM 0 HG23 ILE A 61 7.233 -1.569 -14.064 1.00 20.11 H new ATOM 0 HD11 ILE A 61 9.780 -2.917 -11.006 1.00 55.31 H new ATOM 0 HD12 ILE A 61 8.324 -3.941 -10.985 1.00 55.31 H new ATOM 0 HD13 ILE A 61 8.995 -3.379 -12.535 1.00 55.31 H new ATOM 964 N GLN A 62 3.812 -0.668 -10.438 1.00 24.42 N ATOM 965 CA GLN A 62 3.111 -0.648 -9.159 1.00 43.14 C ATOM 966 C GLN A 62 1.650 -1.048 -9.334 1.00 20.25 C ATOM 967 O GLN A 62 1.201 -1.331 -10.444 1.00 73.43 O ATOM 968 CB GLN A 62 3.200 0.742 -8.528 1.00 12.45 C ATOM 969 CG GLN A 62 4.446 0.948 -7.681 1.00 74.20 C ATOM 970 CD GLN A 62 4.313 2.113 -6.720 1.00 72.22 C ATOM 971 OE1 GLN A 62 5.166 2.999 -6.680 1.00 4.45 O ATOM 972 NE2 GLN A 62 3.238 2.117 -5.940 1.00 4.51 N ATOM 0 H GLN A 62 3.204 -0.601 -11.254 1.00 24.42 H new ATOM 0 HA GLN A 62 3.590 -1.371 -8.498 1.00 43.14 H new ATOM 0 HB2 GLN A 62 3.180 1.492 -9.318 1.00 12.45 H new ATOM 0 HB3 GLN A 62 2.318 0.908 -7.909 1.00 12.45 H new ATOM 0 HG2 GLN A 62 4.651 0.038 -7.117 1.00 74.20 H new ATOM 0 HG3 GLN A 62 5.301 1.117 -8.335 1.00 74.20 H new ATOM 0 HE21 GLN A 62 2.556 1.361 -6.007 1.00 4.51 H new ATOM 0 HE22 GLN A 62 3.094 2.876 -5.274 1.00 4.51 H new ATOM 981 N LYS A 63 0.912 -1.070 -8.229 1.00 22.33 N ATOM 982 CA LYS A 63 -0.499 -1.435 -8.258 1.00 32.01 C ATOM 983 C LYS A 63 -0.687 -2.840 -8.823 1.00 3.54 C ATOM 984 O LYS A 63 -0.891 -3.013 -10.024 1.00 4.44 O ATOM 985 CB LYS A 63 -1.290 -0.427 -9.095 1.00 74.51 C ATOM 986 CG LYS A 63 -2.677 -0.913 -9.480 1.00 52.42 C ATOM 987 CD LYS A 63 -3.638 0.247 -9.682 1.00 3.53 C ATOM 988 CE LYS A 63 -3.165 1.177 -10.789 1.00 22.11 C ATOM 989 NZ LYS A 63 -4.134 2.280 -11.039 1.00 24.21 N ATOM 0 H LYS A 63 1.268 -0.839 -7.302 1.00 22.33 H new ATOM 0 HA LYS A 63 -0.873 -1.422 -7.234 1.00 32.01 H new ATOM 0 HB2 LYS A 63 -1.382 0.504 -8.536 1.00 74.51 H new ATOM 0 HB3 LYS A 63 -0.729 -0.200 -10.001 1.00 74.51 H new ATOM 0 HG2 LYS A 63 -2.616 -1.500 -10.396 1.00 52.42 H new ATOM 0 HG3 LYS A 63 -3.061 -1.574 -8.703 1.00 52.42 H new ATOM 0 HD2 LYS A 63 -4.628 -0.138 -9.927 1.00 3.53 H new ATOM 0 HD3 LYS A 63 -3.735 0.807 -8.752 1.00 3.53 H new ATOM 0 HE2 LYS A 63 -2.196 1.599 -10.520 1.00 22.11 H new ATOM 0 HE3 LYS A 63 -3.020 0.606 -11.706 1.00 22.11 H new ATOM 0 HZ1 LYS A 63 -3.775 2.891 -11.800 1.00 24.21 H new ATOM 0 HZ2 LYS A 63 -5.051 1.879 -11.320 1.00 24.21 H new ATOM 0 HZ3 LYS A 63 -4.253 2.841 -10.171 1.00 24.21 H new ATOM 1003 N GLU A 64 -0.618 -3.838 -7.948 1.00 25.30 N ATOM 1004 CA GLU A 64 -0.781 -5.227 -8.361 1.00 65.21 C ATOM 1005 C GLU A 64 0.304 -5.629 -9.357 1.00 33.52 C ATOM 1006 O GLU A 64 0.127 -6.562 -10.141 1.00 15.13 O ATOM 1007 CB GLU A 64 -2.163 -5.439 -8.982 1.00 43.14 C ATOM 1008 CG GLU A 64 -3.297 -4.855 -8.157 1.00 21.11 C ATOM 1009 CD GLU A 64 -4.471 -5.806 -8.023 1.00 44.02 C ATOM 1010 OE1 GLU A 64 -5.082 -6.142 -9.059 1.00 62.12 O ATOM 1011 OE2 GLU A 64 -4.778 -6.214 -6.884 1.00 1.43 O ATOM 0 H GLU A 64 -0.451 -3.711 -6.950 1.00 25.30 H new ATOM 0 HA GLU A 64 -0.689 -5.856 -7.476 1.00 65.21 H new ATOM 0 HB2 GLU A 64 -2.179 -4.990 -9.975 1.00 43.14 H new ATOM 0 HB3 GLU A 64 -2.333 -6.508 -9.113 1.00 43.14 H new ATOM 0 HG2 GLU A 64 -2.925 -4.600 -7.164 1.00 21.11 H new ATOM 0 HG3 GLU A 64 -3.636 -3.927 -8.618 1.00 21.11 H new ATOM 1018 N SER A 65 1.426 -4.919 -9.319 1.00 43.35 N ATOM 1019 CA SER A 65 2.538 -5.198 -10.221 1.00 1.12 C ATOM 1020 C SER A 65 2.990 -6.649 -10.092 1.00 64.32 C ATOM 1021 O SER A 65 3.198 -7.152 -8.988 1.00 25.35 O ATOM 1022 CB SER A 65 3.709 -4.259 -9.926 1.00 43.21 C ATOM 1023 OG SER A 65 3.903 -3.338 -10.985 1.00 43.52 O ATOM 0 H SER A 65 1.590 -4.146 -8.674 1.00 43.35 H new ATOM 0 HA SER A 65 2.196 -5.031 -11.243 1.00 1.12 H new ATOM 0 HB2 SER A 65 3.521 -3.718 -8.999 1.00 43.21 H new ATOM 0 HB3 SER A 65 4.618 -4.842 -9.776 1.00 43.21 H new ATOM 0 HG SER A 65 4.174 -3.821 -11.793 1.00 43.52 H new ATOM 1029 N THR A 66 3.141 -7.319 -11.231 1.00 11.11 N ATOM 1030 CA THR A 66 3.567 -8.712 -11.248 1.00 21.45 C ATOM 1031 C THR A 66 5.064 -8.826 -11.510 1.00 63.54 C ATOM 1032 O THR A 66 5.554 -8.408 -12.560 1.00 64.12 O ATOM 1033 CB THR A 66 2.807 -9.520 -12.317 1.00 12.34 C ATOM 1034 OG1 THR A 66 3.335 -10.848 -12.395 1.00 31.43 O ATOM 1035 CG2 THR A 66 2.909 -8.847 -13.677 1.00 42.01 C ATOM 0 H THR A 66 2.974 -6.918 -12.154 1.00 11.11 H new ATOM 0 HA THR A 66 3.341 -9.123 -10.264 1.00 21.45 H new ATOM 0 HB THR A 66 1.757 -9.564 -12.029 1.00 12.34 H new ATOM 0 HG1 THR A 66 2.845 -11.355 -13.076 1.00 31.43 H new ATOM 0 HG21 THR A 66 2.365 -9.435 -14.416 1.00 42.01 H new ATOM 0 HG22 THR A 66 2.479 -7.847 -13.621 1.00 42.01 H new ATOM 0 HG23 THR A 66 3.956 -8.776 -13.970 1.00 42.01 H new ATOM 1043 N LEU A 67 5.787 -9.395 -10.552 1.00 32.42 N ATOM 1044 CA LEU A 67 7.230 -9.565 -10.680 1.00 70.41 C ATOM 1045 C LEU A 67 7.592 -11.038 -10.848 1.00 50.43 C ATOM 1046 O LEU A 67 6.793 -11.923 -10.542 1.00 22.24 O ATOM 1047 CB LEU A 67 7.942 -8.990 -9.455 1.00 21.13 C ATOM 1048 CG LEU A 67 9.406 -8.595 -9.653 1.00 21.51 C ATOM 1049 CD1 LEU A 67 9.708 -7.288 -8.938 1.00 12.41 C ATOM 1050 CD2 LEU A 67 10.328 -9.701 -9.159 1.00 10.34 C ATOM 0 H LEU A 67 5.397 -9.747 -9.677 1.00 32.42 H new ATOM 0 HA LEU A 67 7.557 -9.026 -11.569 1.00 70.41 H new ATOM 0 HB2 LEU A 67 7.392 -8.111 -9.119 1.00 21.13 H new ATOM 0 HB3 LEU A 67 7.890 -9.725 -8.652 1.00 21.13 H new ATOM 0 HG LEU A 67 9.582 -8.451 -10.719 1.00 21.51 H new ATOM 0 HD11 LEU A 67 10.754 -7.023 -9.090 1.00 12.41 H new ATOM 0 HD12 LEU A 67 9.072 -6.499 -9.339 1.00 12.41 H new ATOM 0 HD13 LEU A 67 9.515 -7.404 -7.872 1.00 12.41 H new ATOM 0 HD21 LEU A 67 11.366 -9.403 -9.308 1.00 10.34 H new ATOM 0 HD22 LEU A 67 10.149 -9.877 -8.098 1.00 10.34 H new ATOM 0 HD23 LEU A 67 10.130 -10.616 -9.717 1.00 10.34 H new ATOM 1062 N HIS A 68 8.802 -11.292 -11.336 1.00 22.23 N ATOM 1063 CA HIS A 68 9.272 -12.658 -11.542 1.00 14.21 C ATOM 1064 C HIS A 68 10.608 -12.885 -10.841 1.00 15.32 C ATOM 1065 O HIS A 68 11.636 -12.354 -11.259 1.00 24.35 O ATOM 1066 CB HIS A 68 9.410 -12.952 -13.036 1.00 0.21 C ATOM 1067 CG HIS A 68 8.228 -12.514 -13.845 1.00 11.24 C ATOM 1068 ND1 HIS A 68 7.295 -13.394 -14.351 1.00 15.34 N ATOM 1069 CD2 HIS A 68 7.829 -11.280 -14.233 1.00 11.02 C ATOM 1070 CE1 HIS A 68 6.374 -12.720 -15.017 1.00 34.24 C ATOM 1071 NE2 HIS A 68 6.674 -11.435 -14.960 1.00 24.41 N ATOM 0 H HIS A 68 9.475 -10.571 -11.596 1.00 22.23 H new ATOM 0 HA HIS A 68 8.537 -13.338 -11.112 1.00 14.21 H new ATOM 0 HB2 HIS A 68 10.303 -12.455 -13.415 1.00 0.21 H new ATOM 0 HB3 HIS A 68 9.558 -14.023 -13.175 1.00 0.21 H new ATOM 0 HD2 HIS A 68 8.326 -10.347 -14.012 1.00 11.02 H new ATOM 0 HE1 HIS A 68 5.521 -13.147 -15.522 1.00 34.24 H new ATOM 0 HE2 HIS A 68 6.136 -10.681 -15.386 1.00 24.41 H new ATOM 1079 N MET A 69 10.583 -13.675 -9.773 1.00 20.42 N ATOM 1080 CA MET A 69 11.793 -13.972 -9.014 1.00 73.44 C ATOM 1081 C MET A 69 12.200 -15.432 -9.190 1.00 11.11 C ATOM 1082 O MET A 69 11.356 -16.328 -9.177 1.00 52.05 O ATOM 1083 CB MET A 69 11.579 -13.665 -7.531 1.00 74.30 C ATOM 1084 CG MET A 69 10.689 -14.675 -6.824 1.00 2.13 C ATOM 1085 SD MET A 69 10.527 -14.341 -5.059 1.00 75.23 S ATOM 1086 CE MET A 69 12.073 -15.004 -4.445 1.00 42.14 C ATOM 0 H MET A 69 9.739 -14.121 -9.413 1.00 20.42 H new ATOM 0 HA MET A 69 12.596 -13.341 -9.396 1.00 73.44 H new ATOM 0 HB2 MET A 69 12.547 -13.634 -7.031 1.00 74.30 H new ATOM 0 HB3 MET A 69 11.138 -12.673 -7.434 1.00 74.30 H new ATOM 0 HG2 MET A 69 9.701 -14.667 -7.284 1.00 2.13 H new ATOM 0 HG3 MET A 69 11.098 -15.675 -6.965 1.00 2.13 H new ATOM 0 HE1 MET A 69 12.099 -14.920 -3.359 1.00 42.14 H new ATOM 0 HE2 MET A 69 12.158 -16.053 -4.730 1.00 42.14 H new ATOM 0 HE3 MET A 69 12.904 -14.443 -4.872 1.00 42.14 H new ATOM 1096 N VAL A 70 13.498 -15.664 -9.354 1.00 5.12 N ATOM 1097 CA VAL A 70 14.017 -17.015 -9.531 1.00 43.10 C ATOM 1098 C VAL A 70 15.282 -17.230 -8.708 1.00 23.22 C ATOM 1099 O VAL A 70 16.222 -16.436 -8.773 1.00 73.14 O ATOM 1100 CB VAL A 70 14.325 -17.308 -11.011 1.00 63.14 C ATOM 1101 CG1 VAL A 70 13.041 -17.360 -11.824 1.00 74.41 C ATOM 1102 CG2 VAL A 70 15.279 -16.265 -11.573 1.00 43.14 C ATOM 0 H VAL A 70 14.210 -14.934 -9.368 1.00 5.12 H new ATOM 0 HA VAL A 70 13.242 -17.700 -9.186 1.00 43.10 H new ATOM 0 HB VAL A 70 14.808 -18.283 -11.077 1.00 63.14 H new ATOM 0 HG11 VAL A 70 13.279 -17.568 -12.867 1.00 74.41 H new ATOM 0 HG12 VAL A 70 12.396 -18.148 -11.435 1.00 74.41 H new ATOM 0 HG13 VAL A 70 12.527 -16.402 -11.753 1.00 74.41 H new ATOM 0 HG21 VAL A 70 15.486 -16.488 -12.620 1.00 43.14 H new ATOM 0 HG22 VAL A 70 14.825 -15.277 -11.495 1.00 43.14 H new ATOM 0 HG23 VAL A 70 16.211 -16.282 -11.008 1.00 43.14 H new ATOM 1112 N LEU A 71 15.301 -18.309 -7.933 1.00 73.22 N ATOM 1113 CA LEU A 71 16.451 -18.631 -7.096 1.00 45.41 C ATOM 1114 C LEU A 71 17.290 -19.738 -7.725 1.00 61.45 C ATOM 1115 O LEU A 71 16.756 -20.665 -8.334 1.00 74.34 O ATOM 1116 CB LEU A 71 15.990 -19.055 -5.701 1.00 14.10 C ATOM 1117 CG LEU A 71 15.097 -20.295 -5.638 1.00 1.13 C ATOM 1118 CD1 LEU A 71 15.941 -21.555 -5.520 1.00 50.40 C ATOM 1119 CD2 LEU A 71 14.123 -20.192 -4.473 1.00 24.32 C ATOM 0 H LEU A 71 14.532 -18.976 -7.867 1.00 73.22 H new ATOM 0 HA LEU A 71 17.068 -17.737 -7.011 1.00 45.41 H new ATOM 0 HB2 LEU A 71 16.873 -19.236 -5.088 1.00 14.10 H new ATOM 0 HB3 LEU A 71 15.453 -18.221 -5.249 1.00 14.10 H new ATOM 0 HG LEU A 71 14.522 -20.353 -6.562 1.00 1.13 H new ATOM 0 HD11 LEU A 71 15.289 -22.427 -5.476 1.00 50.40 H new ATOM 0 HD12 LEU A 71 16.597 -21.636 -6.386 1.00 50.40 H new ATOM 0 HD13 LEU A 71 16.543 -21.506 -4.612 1.00 50.40 H new ATOM 0 HD21 LEU A 71 13.496 -21.083 -4.443 1.00 24.32 H new ATOM 0 HD22 LEU A 71 14.680 -20.109 -3.540 1.00 24.32 H new ATOM 0 HD23 LEU A 71 13.495 -19.310 -4.600 1.00 24.32 H new ATOM 1131 N ARG A 72 18.606 -19.637 -7.572 1.00 43.44 N ATOM 1132 CA ARG A 72 19.519 -20.630 -8.125 1.00 31.42 C ATOM 1133 C ARG A 72 20.547 -21.062 -7.084 1.00 23.34 C ATOM 1134 O ARG A 72 21.360 -20.257 -6.627 1.00 65.42 O ATOM 1135 CB ARG A 72 20.230 -20.071 -9.358 1.00 41.03 C ATOM 1136 CG ARG A 72 19.318 -19.900 -10.562 1.00 11.31 C ATOM 1137 CD ARG A 72 18.968 -21.239 -11.191 1.00 62.20 C ATOM 1138 NE ARG A 72 19.941 -21.638 -12.205 1.00 32.21 N ATOM 1139 CZ ARG A 72 20.027 -22.869 -12.696 1.00 60.32 C ATOM 1140 NH1 ARG A 72 19.203 -23.816 -12.269 1.00 61.33 N ATOM 1141 NH2 ARG A 72 20.939 -23.155 -13.617 1.00 73.11 N ATOM 0 H ARG A 72 19.064 -18.877 -7.069 1.00 43.44 H new ATOM 0 HA ARG A 72 18.934 -21.502 -8.417 1.00 31.42 H new ATOM 0 HB2 ARG A 72 20.671 -19.106 -9.107 1.00 41.03 H new ATOM 0 HB3 ARG A 72 21.051 -20.736 -9.626 1.00 41.03 H new ATOM 0 HG2 ARG A 72 18.404 -19.390 -10.258 1.00 11.31 H new ATOM 0 HG3 ARG A 72 19.806 -19.266 -11.302 1.00 11.31 H new ATOM 0 HD2 ARG A 72 18.919 -22.003 -10.415 1.00 62.20 H new ATOM 0 HD3 ARG A 72 17.978 -21.180 -11.642 1.00 62.20 H new ATOM 0 HE ARG A 72 20.590 -20.933 -12.555 1.00 32.21 H new ATOM 0 HH11 ARG A 72 18.501 -23.600 -11.562 1.00 61.33 H new ATOM 0 HH12 ARG A 72 19.271 -24.761 -12.648 1.00 61.33 H new ATOM 0 HH21 ARG A 72 21.574 -22.429 -13.948 1.00 73.11 H new ATOM 0 HH22 ARG A 72 21.004 -24.101 -13.994 1.00 73.11 H new ATOM 1155 N LEU A 73 20.505 -22.337 -6.712 1.00 5.12 N ATOM 1156 CA LEU A 73 21.433 -22.877 -5.724 1.00 3.42 C ATOM 1157 C LEU A 73 22.687 -23.425 -6.397 1.00 63.10 C ATOM 1158 O LEU A 73 22.837 -23.340 -7.616 1.00 61.10 O ATOM 1159 CB LEU A 73 20.756 -23.978 -4.907 1.00 73.31 C ATOM 1160 CG LEU A 73 19.302 -23.720 -4.508 1.00 23.31 C ATOM 1161 CD1 LEU A 73 18.698 -24.958 -3.863 1.00 60.14 C ATOM 1162 CD2 LEU A 73 19.211 -22.528 -3.566 1.00 64.25 C ATOM 0 H LEU A 73 19.838 -23.016 -7.080 1.00 5.12 H new ATOM 0 HA LEU A 73 21.726 -22.067 -5.057 1.00 3.42 H new ATOM 0 HB2 LEU A 73 20.796 -24.904 -5.480 1.00 73.31 H new ATOM 0 HB3 LEU A 73 21.338 -24.139 -3.999 1.00 73.31 H new ATOM 0 HG LEU A 73 18.733 -23.490 -5.409 1.00 23.31 H new ATOM 0 HD11 LEU A 73 17.663 -24.756 -3.586 1.00 60.14 H new ATOM 0 HD12 LEU A 73 18.729 -25.788 -4.569 1.00 60.14 H new ATOM 0 HD13 LEU A 73 19.268 -25.219 -2.971 1.00 60.14 H new ATOM 0 HD21 LEU A 73 18.169 -22.359 -3.293 1.00 64.25 H new ATOM 0 HD22 LEU A 73 19.794 -22.729 -2.667 1.00 64.25 H new ATOM 0 HD23 LEU A 73 19.604 -21.641 -4.063 1.00 64.25 H new ATOM 1174 N ARG A 74 23.584 -23.990 -5.595 1.00 44.42 N ATOM 1175 CA ARG A 74 24.825 -24.553 -6.114 1.00 30.24 C ATOM 1176 C ARG A 74 24.626 -26.005 -6.540 1.00 41.33 C ATOM 1177 O ARG A 74 23.831 -26.733 -5.948 1.00 72.13 O ATOM 1178 CB ARG A 74 25.929 -24.467 -5.058 1.00 62.34 C ATOM 1179 CG ARG A 74 25.767 -25.466 -3.924 1.00 53.11 C ATOM 1180 CD ARG A 74 26.518 -25.022 -2.679 1.00 3.10 C ATOM 1181 NE ARG A 74 25.787 -24.001 -1.933 1.00 30.31 N ATOM 1182 CZ ARG A 74 26.355 -23.187 -1.051 1.00 25.35 C ATOM 1183 NH1 ARG A 74 27.656 -23.274 -0.806 1.00 14.35 N ATOM 1184 NH2 ARG A 74 25.623 -22.284 -0.411 1.00 42.15 N ATOM 0 H ARG A 74 23.475 -24.070 -4.584 1.00 44.42 H new ATOM 0 HA ARG A 74 25.121 -23.973 -6.988 1.00 30.24 H new ATOM 0 HB2 ARG A 74 26.894 -24.630 -5.539 1.00 62.34 H new ATOM 0 HB3 ARG A 74 25.946 -23.459 -4.643 1.00 62.34 H new ATOM 0 HG2 ARG A 74 24.709 -25.583 -3.690 1.00 53.11 H new ATOM 0 HG3 ARG A 74 26.133 -26.442 -4.242 1.00 53.11 H new ATOM 0 HD2 ARG A 74 26.695 -25.884 -2.036 1.00 3.10 H new ATOM 0 HD3 ARG A 74 27.495 -24.632 -2.965 1.00 3.10 H new ATOM 0 HE ARG A 74 24.785 -23.908 -2.099 1.00 30.31 H new ATOM 0 HH11 ARG A 74 28.222 -23.967 -1.296 1.00 14.35 H new ATOM 0 HH12 ARG A 74 28.090 -22.648 -0.128 1.00 14.35 H new ATOM 0 HH21 ARG A 74 24.622 -22.214 -0.596 1.00 42.15 H new ATOM 0 HH22 ARG A 74 26.061 -21.660 0.266 1.00 42.15 H new ATOM 1198 N GLY A 75 25.355 -26.418 -7.573 1.00 11.02 N ATOM 1199 CA GLY A 75 25.244 -27.780 -8.062 1.00 15.14 C ATOM 1200 C GLY A 75 26.103 -28.750 -7.276 1.00 31.05 C ATOM 1201 O GLY A 75 27.133 -29.213 -7.763 1.00 22.11 O ATOM 0 H GLY A 75 26.020 -25.834 -8.080 1.00 11.02 H new ATOM 0 HA2 GLY A 75 24.203 -28.098 -8.010 1.00 15.14 H new ATOM 0 HA3 GLY A 75 25.535 -27.811 -9.112 1.00 15.14 H new ATOM 1205 N GLY A 76 25.679 -29.058 -6.053 1.00 42.33 N ATOM 1206 CA GLY A 76 26.430 -29.976 -5.217 1.00 41.20 C ATOM 1207 C GLY A 76 26.005 -29.916 -3.763 1.00 41.33 C ATOM 1208 O GLY A 76 25.044 -30.572 -3.363 1.00 54.22 O ATOM 0 H GLY A 76 24.829 -28.688 -5.627 1.00 42.33 H new ATOM 0 HA2 GLY A 76 26.298 -30.992 -5.589 1.00 41.20 H new ATOM 0 HA3 GLY A 76 27.492 -29.744 -5.292 1.00 41.20 H new TER 1212 GLY A 76